2-(1-Methyl-6-phenacylpiperidin-3-yl)-1-phenylethanone
PubChem CID: 5319058
Connections displayed (default: 10).
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| Topological Polar Surface Area | 37.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1-methyl-6-phenacylpiperidin-3-yl)-1-phenylethanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Is Pains | False |
| Molecular Formula | C22H25NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AHSYGTGCCMEKRI-UHFFFAOYSA-N |
| Fcsp3 | 0.3636363636363636 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 2-(1-Methyl-6-phenacylpiperidin-3-yl)-1-phenylethanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 335.189 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 335.189 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 335.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.2099714 |
| Inchi | InChI=1S/C22H25NO2/c1-23-16-17(14-21(24)18-8-4-2-5-9-18)12-13-20(23)15-22(25)19-10-6-3-7-11-19/h2-11,17,20H,12-16H2,1H3 |
| Smiles | CN1CC(CCC1CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isotoma Longiflora (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Lobelia Hassleri (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Lobelia Inflata (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Sedum Acre (Plant) Rel Props:Source_db:cmaup_ingredients