3-(4-{[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl}piperazin-1-yl)propanenitrile
Chemical Structure Depiction of
3-(4-{[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl}piperazin-1-yl)propanenitrile
3-(4-{[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl}piperazin-1-yl)propanenitrile
Compound characteristics
Compound ID: | T428-0116 |
Compound Name: | 3-(4-{[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]acetyl}piperazin-1-yl)propanenitrile |
Molecular Weight: | 372.47 |
Molecular Formula: | C19 H28 N6 O2 |
Smiles: | COc1nccc(n1)N1CCC(CC1)CC(N1CCN(CCC#N)CC1)=O |
Stereo: | ACHIRAL |
logP: | 1.2067 |
logD: | 1.206 |
logSw: | -1.6932 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 66.905 |
InChI Key: | BNHPUAIPKZANMP-UHFFFAOYSA-N |