rel-(3R,4R)-1-benzyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-benzyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-benzyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0298 |
| Compound Name: | rel-(3R,4R)-1-benzyl-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-cyclopropylpyrrolidine-3-carboxamide |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C28 H31 F3 N4 O |
| Smiles: | C1CN(CCC1[C@@H]1CN(Cc2ccccc2)C[C@H]1C(NC1CC1)=O)c1ccc(C#N)c(c1)C(F)(F)F |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 4.294 |
| logD: | 3.2779 |
| logSw: | -4.2061 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.911 |
| InChI Key: | XJADZCJVGZRTJF-RPBOFIJWSA-N |