rel-(3R,4R)-4-(1-benzylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-(1-benzylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrrolidine-3-carboxamide
rel-(3R,4R)-4-(1-benzylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-5249 |
| Compound Name: | rel-(3R,4R)-4-(1-benzylpiperidin-4-yl)-1-[4-cyano-3-(trifluoromethyl)phenyl]-N-methylpyrrolidine-3-carboxamide |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C26 H29 F3 N4 O |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)Cc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.5855 |
| logD: | 3.0784 |
| logSw: | -3.7674 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.276 |
| InChI Key: | PHIJAPVOVTZXCG-XZOQPEGZSA-N |