Ammodendrine
PubChem CID: 442625
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Ammodendrine, 494-15-5, Spherocarpine, Isoammodendrine, Isoammodendrin, CHEBI:2670, 1-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone, U0X8I482C7, 1-acetyl-5-[(2R)-piperidin-2-yl]-1,2,3,4-tetrahydropyridine, (R)-1-(5-(Piperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl)ethan-1-one, 1-{1,2,3,4-tetrahydro-5-[(2R)-piperidin-2-yl]pyridin-1-yl}ethanone, UNII-U0X8I482C7, D-Ammodendrine, (+)-Ammodendrine, CHEMBL464777, DTXSID70964226, AKOS030229934, AT20210, NS00094152, Q27105761, 1-[5-(Piperidin-2-yl)-3,4-dihydropyridin-1(2H)-yl]ethan-1-one, Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2-piperidinyl)-, (R)-, Pyridine, 1-acetyl-1,2,3,4-tetrahydro-5-(2R)-2-piperidinyl-, 1-{5-[(2R)-piperidin-2-yl]-1,2,3,4-tetrahydropyridin-1-yl}ethan-1-one, ETHANONE, 1-(3,4-DIHYDRO-5-(2R)-2-PIPERIDINYL-1(2H)-PYRIDINYL)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 32.299 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC(C2CCCCC2)CC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | CC=O)NCCCC=C6)[C@H]CCCCN6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | C1CCC(C2CCCNC2)NC1 |
| Classyfire Subclass | Hydropyridines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 273.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[5-[(2R)-piperidin-2-yl]-3,4-dihydro-2H-pyridin-1-yl]ethanone |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C12H20N2O |
| Scaffold Graph Node Bond Level | C1=C(C2CCCCN2)CCCN1 |
| Prediction Swissadme | 1.0 |
| Inchi Key | APKLQIQRPUDADG-GFCCVEGCSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.75 |
| Logs | -0.741 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.631 |
| Synonyms | ammodendrine |
| Esol Class | Very soluble |
| Functional Groups | CC(=O)N(C)C=C(C)C, CNC |
| Compound Name | Ammodendrine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 208.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 208.158 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 208.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.2199405999999997 |
| Inchi | InChI=1S/C12H20N2O/c1-10(15)14-8-4-5-11(9-14)12-6-2-3-7-13-12/h9,12-13H,2-8H2,1H3/t12-/m1/s1 |
| Smiles | CC(=O)N1CCCC(=C1)[C@H]2CCCCN2 |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Buxus Papillosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cytisus Scoparius (Plant) Rel Props:Reference:ISBN:9780387706375 - 3. Outgoing r'ship
FOUND_INto/from Eranthemum Pulchellum (Plant) Rel Props:Source_db:npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Lupinus Formosus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Lupinus Luteus (Plant) Rel Props:Reference:ISBN:9788172362461 - 6. Outgoing r'ship
FOUND_INto/from Rothia Indica (Plant) Rel Props:Reference:ISBN:9788185042138 - 7. Outgoing r'ship
FOUND_INto/from Sophora Franchetiana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all