N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
Chemical Structure Depiction of
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)piperidin-3-yl]cyclopropanecarboxamide
Compound characteristics
| Compound ID: | S617-0128 |
| Compound Name: | N-[rel-(3R,4R)-4-(hydroxymethyl)-1-(isoquinoline-1-carbonyl)piperidin-3-yl]cyclopropanecarboxamide |
| Molecular Weight: | 353.42 |
| Molecular Formula: | C20 H23 N3 O3 |
| Smiles: | C1CC1C(N[C@@H]1CN(CC[C@@H]1CO)C(c1c2ccccc2ccn1)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1815 |
| logD: | 1.1815 |
| logSw: | -2.1411 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.342 |
| InChI Key: | RGULIWHDDIXZNU-WBVHZDCISA-N |