1-{4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T002-0008 |
| Compound Name: | 1-{4-[3-(3,4-dimethoxyphenyl)propanoyl]piperazin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 344.41 |
| Molecular Formula: | C19 H24 N2 O4 |
| Smiles: | CC#CC(N1CCN(CC1)C(CCc1ccc(c(c1)OC)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5273 |
| logD: | 1.5273 |
| logSw: | -1.9429 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.82 |
| InChI Key: | AAYWJYALDSCPKV-UHFFFAOYSA-N |