rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-cyclopropyl-N~1~-ethylpyrrolidine-1,3-dicarboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-cyclopropyl-N~1~-ethylpyrrolidine-1,3-dicarboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-cyclopropyl-N~1~-ethylpyrrolidine-1,3-dicarboxamide
Compound characteristics
| Compound ID: | S954-0284 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N~3~-cyclopropyl-N~1~-ethylpyrrolidine-1,3-dicarboxamide |
| Molecular Weight: | 477.53 |
| Molecular Formula: | C24 H30 F3 N5 O2 |
| Smiles: | CCNC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(NC1CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.7725 |
| logD: | 2.7725 |
| logSw: | -3.1003 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.867 |
| InChI Key: | YJLSTJPTJYCDIR-UXHICEINSA-N |