methyl {1,3-dimethyl-2,6-dioxo-8-[(piperidin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Chemical Structure Depiction of
methyl {1,3-dimethyl-2,6-dioxo-8-[(piperidin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
methyl {1,3-dimethyl-2,6-dioxo-8-[(piperidin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate
Compound characteristics
| Compound ID: | C470-0433 |
| Compound Name: | methyl {1,3-dimethyl-2,6-dioxo-8-[(piperidin-1-yl)methyl]-1,2,3,6-tetrahydro-7H-purin-7-yl}acetate |
| Molecular Weight: | 349.39 |
| Molecular Formula: | C16 H23 N5 O4 |
| Smiles: | CN1C(c2c(nc(CN3CCCCC3)n2CC(=O)OC)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8211 |
| logD: | 0.7805 |
| logSw: | -0.4499 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.263 |
| InChI Key: | XZDQNYOBTKGZJS-UHFFFAOYSA-N |