N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0161 |
| Compound Name: | N-{4-[(4-methylpiperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 501.68 |
| Molecular Formula: | C29 H39 N7 O |
| Smiles: | CC1CCN(CC1)Cc1ccc(cc1)NC(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9344 |
| logD: | 2.4846 |
| logSw: | -3.9087 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.353 |
| InChI Key: | QBFNKIYREQLRSW-QHCPKHFHSA-N |