4-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S794-0031 |
| Compound Name: | 4-[1-(cyclohexanecarbonyl)piperidin-4-yl]-2,5-dimethyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 306.41 |
| Molecular Formula: | C16 H26 N4 O2 |
| Smiles: | CC1=NN(C)C(N1C1CCN(CC1)C(C1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2999 |
| logD: | 2.2998 |
| logSw: | -2.0383 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.002 |
| InChI Key: | RYDOFNFLIDDFLK-UHFFFAOYSA-N |