4-cyclopentyl-5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Chemical Structure Depiction of
4-cyclopentyl-5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-cyclopentyl-5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one
Compound characteristics
| Compound ID: | S559-0348 |
| Compound Name: | 4-cyclopentyl-5-{1-[(4-methoxyphenyl)acetyl]piperidin-4-yl}-2-methyl-2,4-dihydro-3H-1,2,4-triazol-3-one |
| Molecular Weight: | 398.5 |
| Molecular Formula: | C22 H30 N4 O3 |
| Smiles: | CN1C(N(C2CCCC2)C(C2CCN(CC2)C(Cc2ccc(cc2)OC)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9906 |
| logD: | 2.9832 |
| logSw: | -2.993 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.349 |
| InChI Key: | YMDRWBQOMAEXLZ-UHFFFAOYSA-N |