rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylbutanoyl)-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylbutanoyl)-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylbutanoyl)-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0223 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-1-(2,2-dimethylbutanoyl)-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 478.56 |
| Molecular Formula: | C25 H33 F3 N4 O2 |
| Smiles: | CCC(C)(C)C(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.6787 |
| logD: | 3.6787 |
| logSw: | -3.856 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.464 |
| InChI Key: | FUHUZXQUFCTNHJ-UXHICEINSA-N |