methyl 5-{4-[2-(butylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-{4-[2-(butylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
methyl 5-{4-[2-(butylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | F862-0259 |
| Compound Name: | methyl 5-{4-[2-(butylamino)-2-oxoethyl]piperidine-1-carbonyl}-2,4-dimethyl-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C20 H31 N3 O4 |
| Smiles: | CCCCNC(CC1CCN(CC1)C(c1c(C)c(C(=O)OC)c(C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2235 |
| logD: | 2.2235 |
| logSw: | -2.3448 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.355 |
| InChI Key: | QBWSYXVCQFHJFN-UHFFFAOYSA-N |