4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S553-0983 |
| Compound Name: | 4-phenyl-5-(piperidin-4-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 244.29 |
| Molecular Formula: | C13 H16 N4 O |
| Smiles: | C1CNCCC1C1=NNC(N1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.1568 |
| logD: | -4.374 |
| logSw: | -1.6294 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.289 |
| InChI Key: | MPUUVRSPOUUDBL-UHFFFAOYSA-N |