methyl 5-{4-[2-(benzylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{4-[2-(benzylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-{4-[2-(benzylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0140 |
| Compound Name: | methyl 5-{4-[2-(benzylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C23 H29 N3 O4 |
| Smiles: | Cc1c(C(=O)OC)c(C)[nH]c1C(N1CCC(CC1)CC(NCc1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5698 |
| logD: | 2.5698 |
| logSw: | -2.7051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.242 |
| InChI Key: | XMCNVBMLDZOBHM-UHFFFAOYSA-N |