N-[4-(cyanomethyl)phenyl]-1-(phenylmethanesulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[4-(cyanomethyl)phenyl]-1-(phenylmethanesulfonyl)piperidine-3-carboxamide
N-[4-(cyanomethyl)phenyl]-1-(phenylmethanesulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | J009-0094 |
| Compound Name: | N-[4-(cyanomethyl)phenyl]-1-(phenylmethanesulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | C1CC(CN(C1)S(Cc1ccccc1)(=O)=O)C(Nc1ccc(CC#N)cc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7135 |
| logD: | 1.7135 |
| logSw: | -2.2784 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.36 |
| InChI Key: | LBZQTZKPKUTGIU-IBGZPJMESA-N |