4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
Chemical Structure Depiction of
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide
Compound characteristics
| Compound ID: | S954-5435 |
| Compound Name: | 4-[rel-(3R,4R)-1-[4-cyano-3-(trifluoromethyl)phenyl]-4-(dimethylcarbamoyl)pyrrolidin-3-yl]-N-methylpiperidine-1-carboxamide |
| Molecular Weight: | 451.49 |
| Molecular Formula: | C22 H28 F3 N5 O2 |
| Smiles: | CNC(N1CCC(CC1)[C@@H]1CN(C[C@H]1C(N(C)C)=O)c1ccc(C#N)c(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.7653 |
| logD: | 1.7653 |
| logSw: | -2.7617 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.922 |
| InChI Key: | IOMLMXBTPZRCNE-ZWKOTPCHSA-N |