4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}-N,N-dimethylbenzamide
Chemical Structure Depiction of
4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}-N,N-dimethylbenzamide
4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}-N,N-dimethylbenzamide
Compound characteristics
| Compound ID: | S690-1068 |
| Compound Name: | 4-{[1-(isoquinoline-1-carbonyl)piperidin-4-yl]methyl}-N,N-dimethylbenzamide |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C25 H27 N3 O2 |
| Smiles: | CN(C)C(c1ccc(CC2CCN(CC2)C(c2c3ccccc3ccn2)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.972 |
| logD: | 2.972 |
| logSw: | -3.0186 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.162 |
| InChI Key: | DFEGKRBCBNSVQW-UHFFFAOYSA-N |