4-{[4-(1,3-dimethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl}benzonitrile
Chemical Structure Depiction of
4-{[4-(1,3-dimethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl}benzonitrile
4-{[4-(1,3-dimethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | S794-0185 |
| Compound Name: | 4-{[4-(1,3-dimethyl-5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl}benzonitrile |
| Molecular Weight: | 311.38 |
| Molecular Formula: | C17 H21 N5 O |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)Cc1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9269 |
| logD: | 1.3827 |
| logSw: | -2.0701 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 50.951 |
| InChI Key: | KWNZMBDYSDZFPU-UHFFFAOYSA-N |