1-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0131 |
| Compound Name: | 1-{4-[(3,4-dimethoxyphenyl)acetyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 330.38 |
| Molecular Formula: | C18 H22 N2 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(Cc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.32 |
| logD: | 1.32 |
| logSw: | -1.9304 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.82 |
| InChI Key: | QGTDCZBBPIQETN-UHFFFAOYSA-N |