rel-(2R,3R)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-6-oxo-2-(pyridin-3-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
rel-(2R,3R)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-6-oxo-2-(pyridin-3-yl)piperidine-3-carboxamide
rel-(2R,3R)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-6-oxo-2-(pyridin-3-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | SB13-0257 |
| Compound Name: | rel-(2R,3R)-N-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-6-oxo-2-(pyridin-3-yl)piperidine-3-carboxamide |
| Molecular Weight: | 433.55 |
| Molecular Formula: | C25 H31 N5 O2 |
| Smiles: | CC(C)CN1C(CC[C@@H](C(NCCc2nc3ccccc3n2C)=O)[C@@H]1c1cccnc1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.3911 |
| logD: | 2.3217 |
| logSw: | -2.8114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.231 |
| InChI Key: | JALQPCRVDHSFSY-NTKDMRAZSA-N |