N-[rel-(3R,4R)-1-[(3-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]-N~2~,N~2~-dimethylglycinamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-1-[(3-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]-N~2~,N~2~-dimethylglycinamide
N-[rel-(3R,4R)-1-[(3-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]-N~2~,N~2~-dimethylglycinamide
Compound characteristics
| Compound ID: | S620-1591 |
| Compound Name: | N-[rel-(3R,4R)-1-[(3-cyanophenyl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)piperidin-3-yl]-N~2~,N~2~-dimethylglycinamide |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C20 H27 N7 O |
| Smiles: | Cc1nc([C@H]2CCN(Cc3cccc(C#N)c3)C[C@H]2NC(CN(C)C)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.0358 |
| logD: | -0.4227 |
| logSw: | -2.1789 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.64 |
| InChI Key: | DCMPFSQCXRNUIH-ZWKOTPCHSA-N |