4-cyclopentyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0464 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(3-phenylpropanoyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C22 H30 N4 O2 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(CCc2ccccc2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.317 |
| logD: | 3.3096 |
| logSw: | -3.4229 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 47.805 |
| InChI Key: | ZUPKRCUABHHYLD-UHFFFAOYSA-N |