N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-N-phenylpropanamide
Chemical Structure Depiction of
N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-N-phenylpropanamide
N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-N-phenylpropanamide
Compound characteristics
| Compound ID: | V023-9140 |
| Compound Name: | N-{1-[(2-chloro-5-nitrophenyl)methyl]piperidin-4-yl}-N-phenylpropanamide |
| Molecular Weight: | 401.89 |
| Molecular Formula: | C21 H24 Cl N3 O3 |
| Smiles: | CCC(N(C1CCN(CC1)Cc1cc(ccc1[Cl])[N+]([O-])=O)c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2921 |
| logD: | 4.2229 |
| logSw: | -4.5247 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.608 |
| InChI Key: | AKNVXPQFHVUJSU-UHFFFAOYSA-N |