N-[2-(1-benzylpiperidin-4-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
Chemical Structure Depiction of
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
N-[2-(1-benzylpiperidin-4-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | Y044-0129 |
| Compound Name: | N-[2-(1-benzylpiperidin-4-yl)ethyl]-N~3~-(9H-purin-6-yl)-beta-alaninamide |
| Molecular Weight: | 407.52 |
| Molecular Formula: | C22 H29 N7 O |
| Smiles: | C(CNC(CCNc1c2c(ncn1)[nH]cn2)=O)C1CCN(CC1)Cc1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 1.5426 |
| logD: | 0.5775 |
| logSw: | -2.0181 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.436 |
| InChI Key: | XQIYZQPTVWKIHW-UHFFFAOYSA-N |