rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0294 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide |
| Molecular Weight: | 442.91 |
| Molecular Formula: | C21 H25 F3 N4 O |
| Salt: | HCl |
| Smiles: | [H]N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC1CC1)=O |
| Stereo: | RELATIVE |
| logP: | 2.4616 |
| logD: | -0.3725 |
| logSw: | -2.9799 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.326 |
| InChI Key: | BRFCHWRUZUCREC-MSOLQXFVSA-N |