1-{4-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl}but-2-yn-1-one
Chemical Structure Depiction of
1-{4-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl}but-2-yn-1-one
1-{4-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl}but-2-yn-1-one
Compound characteristics
| Compound ID: | T003-0124 |
| Compound Name: | 1-{4-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]piperidin-1-yl}but-2-yn-1-one |
| Molecular Weight: | 354.45 |
| Molecular Formula: | C20 H26 N4 O2 |
| Smiles: | CC#CC(N1CCC(CC1)c1c(cnc(C)n1)C(N1CCCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1027 |
| logD: | 2.1027 |
| logSw: | -2.2951 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 52.484 |
| InChI Key: | QICIJSKKGDGKPA-UHFFFAOYSA-N |