2-{2-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Chemical Structure Depiction of
2-{2-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
2-{2-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid
Compound characteristics
| Compound ID: | G955-0236 |
| Compound Name: | 2-{2-[({1-[(3-fluorophenyl)methyl]piperidin-4-yl}methyl)amino]-2-oxoethyl}-1,4-dimethyl-1H-pyrrole-3-carboxylic acid |
| Molecular Weight: | 401.48 |
| Molecular Formula: | C22 H28 F N3 O3 |
| Smiles: | Cc1cn(C)c(CC(NCC2CCN(CC2)Cc2cccc(c2)F)=O)c1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2165 |
| logD: | 2.2165 |
| logSw: | -2.3027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.146 |
| InChI Key: | KLKIBAPFHWQCLH-UHFFFAOYSA-N |