rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0276 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropyl-1-(2-methylpropyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C25 H33 F3 N4 O |
| Smiles: | CC(C)CN1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC1CC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.0284 |
| logD: | 1.8747 |
| logSw: | -4.1338 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.182 |
| InChI Key: | ULZNVTHSTGFLLS-YADHBBJMSA-N |