rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(3-methoxypropanoyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(3-methoxypropanoyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(3-methoxypropanoyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0444 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(3-methoxypropanoyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 480.53 |
| Molecular Formula: | C24 H31 F3 N4 O3 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(CCOC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.991 |
| logD: | 1.991 |
| logSw: | -2.8963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.754 |
| InChI Key: | ZMDTYZROYOXTRI-UXHICEINSA-N |