rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0465 |
| Compound Name: | rel-(3R,4R)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N-ethyl-1-(pyrrolidine-1-carbonyl)pyrrolidine-3-carboxamide |
| Molecular Weight: | 491.56 |
| Molecular Formula: | C25 H32 F3 N5 O2 |
| Smiles: | CCNC([C@@H]1CN(C[C@H]1C1CCN(CC1)c1ccc(C#N)c(c1)C(F)(F)F)C(N1CCCC1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.2201 |
| logD: | 3.2201 |
| logSw: | -3.314 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.839 |
| InChI Key: | SHOFLBQUNKFTAT-RTWAWAEBSA-N |