3-{[4-methyl-6-oxo-2-(piperidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Chemical Structure Depiction of
3-{[4-methyl-6-oxo-2-(piperidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
3-{[4-methyl-6-oxo-2-(piperidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile
Compound characteristics
| Compound ID: | P194-0058 |
| Compound Name: | 3-{[4-methyl-6-oxo-2-(piperidin-1-yl)pyrimidin-1(6H)-yl]methyl}benzonitrile |
| Molecular Weight: | 308.38 |
| Molecular Formula: | C18 H20 N4 O |
| Smiles: | CC1=CC(N(Cc2cccc(C#N)c2)C(=N1)N1CCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3788 |
| logD: | 2.3788 |
| logSw: | -2.6451 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 46.012 |
| InChI Key: | VPUXXWQNWOKVLP-UHFFFAOYSA-N |