N-[4-(cyanomethyl)phenyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
N-[4-(cyanomethyl)phenyl]-1-(ethanesulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | Y300-0472 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-(ethanesulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 335.42 |
| Molecular Formula: | C16 H21 N3 O3 S |
| Smiles: | CCS(N1CCC(CC1)C(Nc1ccc(CC#N)cc1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8138 |
| logD: | 0.8138 |
| logSw: | -2.2698 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.698 |
| InChI Key: | HOBIKFUFTALFFK-UHFFFAOYSA-N |