4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
Chemical Structure Depiction of
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methylbutyl)piperidine-1-carboxamide
Compound characteristics
| Compound ID: | S954-5261 |
| Compound Name: | 4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(methylcarbamoyl)pyrrolidin-3-yl]-N-(3-methylbutyl)piperidine-1-carboxamide |
| Molecular Weight: | 493.57 |
| Molecular Formula: | C25 H34 F3 N5 O2 |
| Smiles: | CC(C)CCNC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(NC)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RELATIVE |
| logP: | 3.4859 |
| logD: | 3.4859 |
| logSw: | -3.6935 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.448 |
| InChI Key: | VGJIVHIJYOZBNJ-LEWJYISDSA-N |