rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-ethyl-N~3~-methylpyrrolidine-1,3-dicarboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-ethyl-N~3~-methylpyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-ethyl-N~3~-methylpyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0194 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-ethyl-N~3~-methylpyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C22 H28 F3 N5 O2 |
| Smiles: | CCNC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)=O |
| Stereo: | RELATIVE |
| logP: | 2.0351 |
| logD: | 2.0351 |
| logSw: | -2.849 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.232 |
| InChI Key: | WQSZXWKFWBIPPG-MSOLQXFVSA-N |