rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-(3-methoxypropyl)-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~-(3-methoxypropyl)-N~3~-methylpyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-(3-methoxypropyl)-N~3~-methylpyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0254 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~1~-(3-methoxypropyl)-N~3~-methylpyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C24 H32 F3 N5 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(NCCCOC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.2114 |
| logD: | 2.2114 |
| logSw: | -2.9657 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.79 |
| InChI Key: | SDRKGMRJSFXQPY-UXHICEINSA-N |