rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5075 |
| Compound Name: | rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-[1-(cyclohexylmethyl)piperidin-4-yl]pyrrolidine-3-carboxamide |
| Molecular Weight: | 462.56 |
| Molecular Formula: | C25 H33 F3 N4 O |
| Smiles: | C1CCC(CC1)CN1CCC(CC1)[C@@H]1CN(C[C@H]1C(N)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.1906 |
| logD: | 3.2041 |
| logSw: | -4.4224 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.692 |
| InChI Key: | CRGSUJSIPAAYCC-FCHUYYIVSA-N |