1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one
1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one
Compound characteristics
Compound ID: | T001-1561 |
Compound Name: | 1-{4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl}but-2-yn-1-one |
Molecular Weight: | 291.39 |
Molecular Formula: | C16 H25 N3 O2 |
Smiles: | CC#CC(N1CCN(CC1)CC(N1CCCCCC1)=O)=O |
Stereo: | ACHIRAL |
logP: | 0.9963 |
logD: | 0.9958 |
logSw: | -0.8393 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 36.895 |
InChI Key: | JFMHVHFTNVRPGB-UHFFFAOYSA-N |