2-(6-Phenacylpiperidin-2-yl)-1-phenylethanone
PubChem CID: 417889
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-(6-phenacylpiperidin-2-yl)-1-phenylethanone, 2-[6-(2-oxo-2-phenylethyl)-2-piperidinyl]-1-phenylethanone, SCHEMBL3683716, CHEMBL4921946, 864969-17-5, AE-562/43458451, 2,2'-(Piperidine-2,6-diyl)bis(1-phenylethan-1-one) |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(6-phenacylpiperidin-2-yl)-1-phenylethanone |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 3.4 |
| Is Pains | False |
| Molecular Formula | C21H23NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | OMAMGHBETNHQJC-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 2-(6-Phenacylpiperidin-2-yl)-1-phenylethanone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 321.173 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 321.173 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 321.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.948804 |
| Inchi | InChI=1S/C21H23NO2/c23-20(16-8-3-1-4-9-16)14-18-12-7-13-19(22-18)15-21(24)17-10-5-2-6-11-17/h1-6,8-11,18-19,22H,7,12-15H2 |
| Smiles | C1CC(NC(C1)CC(=O)C2=CC=CC=C2)CC(=O)C3=CC=CC=C3 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lobelia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients