rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(propan-2-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(propan-2-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(propan-2-yl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5282 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-[1-(propan-2-yl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 448.53 |
| Molecular Formula: | C24 H31 F3 N4 O |
| Smiles: | CC(C)N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RELATIVE |
| logP: | 3.5553 |
| logD: | 1.7003 |
| logSw: | -3.7201 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.234 |
| InChI Key: | PWOPRPMRYKTUOE-LEWJYISDSA-N |