N-{4-[(piperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-{4-[(piperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-{4-[(piperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0572 |
| Compound Name: | N-{4-[(piperidin-1-yl)methyl]phenyl}-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 487.65 |
| Molecular Formula: | C28 H37 N7 O |
| Smiles: | C1CCN(CC1)Cc1ccc(cc1)NC(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6987 |
| logD: | 2.1168 |
| logSw: | -3.7694 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.419 |
| InChI Key: | LODHPUQNLUJEGV-UHFFFAOYSA-N |