2-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0128 |
| Compound Name: | 2-{2-[(1-benzylpiperidin-4-yl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 369.46 |
| Molecular Formula: | C21 H27 N3 O3 |
| Smiles: | Cc1cn(C)c(CC(NC2CCN(CC2)Cc2ccccc2)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.762 |
| logD: | 1.762 |
| logSw: | -1.972 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.679 |
| InChI Key: | JBQLLIKCHBIFML-UHFFFAOYSA-N |