4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S954-5258 |
| Compound Name: | 4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methoxypropyl)piperidine-1-carboxamide |
| Molecular Weight: | 495.54 |
| Molecular Formula: | C24 H32 F3 N5 O3 |
| Smiles: | CNC([C@@H]1CN(C[C@H]1C1CCN(CC1)C(NCCCOC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 2.1517 |
| logD: | 2.1517 |
| logSw: | -2.9467 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.79 |
| InChI Key: | QHIMDZZYEVTUFO-VQTJNVASSA-N |