rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-(propan-2-yl)pyrrolidine-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~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0217 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-methyl-N~1~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 465.52 |
| Molecular Formula: | C23 H30 F3 N5 O2 |
| Smiles: | CC(C)NC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.627 |
| logD: | 2.627 |
| logSw: | -3.0823 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.581 |
| InChI Key: | RQTQTIUWIGTYHP-MOPGFXCFSA-N |