Agn-PC-0nihb1
PubChem CID: 12306778
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| Compound Synonyms | AGN-PC-0NIHB1, 2505-55-7, SCHEMBL24802671, DTXSID60486785 |
|---|---|
| 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 | CC(CC1CCCCC1)CC1CCCC1 |
| Np Classifier Class | Piperidine alkaloids |
| Deep Smiles | O=CCCCCCN5C)))))))CCCCCCN6 |
| Heavy Atom Count | 16.0 |
| Scaffold Graph Node Level | OC(CC1CCCCN1)CC1CCCN1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 242.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(1-methylpyrrolidin-2-yl)-3-piperidin-2-ylpropan-2-one |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.9 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H24N2O |
| Scaffold Graph Node Bond Level | O=C(CC1CCCCN1)CC1CCCN1 |
| Inchi Key | FONWOVFPQFNSTJ-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | anahygrine |
| Esol Class | Very soluble |
| Functional Groups | CC(C)=O, CN(C)C, CNC |
| Compound Name | Agn-PC-0nihb1 |
| Exact Mass | 224.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 224.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 224.34 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C13H24N2O/c1-15-8-4-6-12(15)10-13(16)9-11-5-2-3-7-14-11/h11-12,14H,2-10H2,1H3 |
| Smiles | CN1CCCC1CC(=O)CC2CCCCN2 |
| 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 Withania Somnifera (Plant) Rel Props:Reference:ISBN:9788172361150