rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-ethyl-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~-ethyl-N~1~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-ethyl-N~1~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0455 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-ethyl-N~1~-(propan-2-yl)pyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 479.55 |
| Molecular Formula: | C24 H32 F3 N5 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(NC(C)C)=O)=O |
| Stereo: | RELATIVE |
| logP: | 3.0954 |
| logD: | 3.0954 |
| logSw: | -3.2227 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.056 |
| InChI Key: | QWFUJOCMFFOCFZ-UXHICEINSA-N |