rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-(piperidin-4-yl)pyrrolidine-3-carboxamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-(piperidin-4-yl)pyrrolidine-3-carboxamide--hydrogen chloride (1/1)
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-(piperidin-4-yl)pyrrolidine-3-carboxamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S954-5298 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-cyclopropyl-4-(piperidin-4-yl)pyrrolidine-3-carboxamide--hydrogen chloride (1/1) |
| Molecular Weight: | 442.91 |
| Molecular Formula: | C21 H25 F3 N4 O |
| Salt: | HCl |
| Smiles: | [H]N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.4479 |
| logD: | -0.7615 |
| logSw: | -2.4741 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.331 |
| InChI Key: | GRTMQMSAUCILNF-MSOLQXFVSA-N |