rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-phenylpyrrolidine-1,3-dicarboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-phenylpyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-phenylpyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0180 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-phenylpyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 499.54 |
| Molecular Formula: | C26 H28 F3 N5 O2 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(Nc1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2168 |
| logD: | 3.2168 |
| logSw: | -3.485 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.013 |
| InChI Key: | NLILYXGQHGZOFU-YADHBBJMSA-N |