4-cyclopentyl-2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0455 |
| Compound Name: | 4-cyclopentyl-2-methyl-5-[1-(phenoxyacetyl)piperidin-4-yl]-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C21 H28 N4 O3 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(COc2ccccc2)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4816 |
| logD: | 2.4742 |
| logSw: | -2.2284 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.304 |
| InChI Key: | JQFSLMKRTAHXEQ-UHFFFAOYSA-N |