rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5217 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 476.59 |
| Molecular Formula: | C26 H35 F3 N4 O |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)CC1CCCCC1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.3716 |
| logD: | 3.3851 |
| logSw: | -4.3136 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.468 |
| InChI Key: | XGXQNOVGUPBYQP-XZOQPEGZSA-N |