rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethylpyrrolidine-3-carboxamide
Chemical Structure Depiction of
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethylpyrrolidine-3-carboxamide
rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethylpyrrolidine-3-carboxamide
Compound characteristics
| Compound ID: | S954-0384 |
| Compound Name: | rel-(3R,4R)-1-(N-acetylglycyl)-4-{1-[4-cyano-3-(trifluoromethyl)phenyl]piperidin-4-yl}-N,N-dimethylpyrrolidine-3-carboxamide |
| Molecular Weight: | 493.53 |
| Molecular Formula: | C24 H30 F3 N5 O3 |
| Smiles: | CC(NCC(N1C[C@@H](C2CCN(CC2)c2ccc(C#N)c(c2)C(F)(F)F)[C@@H](C1)C(N(C)C)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 0.5156 |
| logD: | 0.5156 |
| logSw: | -2.5109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.686 |
| InChI Key: | FJFRHFMENDUPKT-UXHICEINSA-N |