rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0171 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-methyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 436.52 |
| Molecular Formula: | C23 H31 F3 N4 O |
| Smiles: | CC(C)CN1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O |
| Stereo: | RELATIVE |
| logP: | 3.291 |
| logD: | 1.3066 |
| logSw: | -3.4554 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.548 |
| InChI Key: | CIKTVVABHCAJBU-UXHICEINSA-N |