tert-butyl 4-[4-{[2-(4-benzylpiperidin-1-yl)ethyl]carbamoyl}-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Chemical Structure Depiction of
tert-butyl 4-[4-{[2-(4-benzylpiperidin-1-yl)ethyl]carbamoyl}-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
tert-butyl 4-[4-{[2-(4-benzylpiperidin-1-yl)ethyl]carbamoyl}-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
Compound characteristics
| Compound ID: | E951-1381 |
| Compound Name: | tert-butyl 4-[4-{[2-(4-benzylpiperidin-1-yl)ethyl]carbamoyl}-1-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate |
| Molecular Weight: | 599.82 |
| Molecular Formula: | C36 H49 N5 O3 |
| Smiles: | Cc1ccc(cc1C)n1c(C2CCN(CC2)C(=O)OC(C)(C)C)c(cn1)C(NCCN1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 8.2507 |
| logD: | 7.7128 |
| logSw: | -5.5574 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.109 |
| InChI Key: | CODBRROTXZSSOB-UHFFFAOYSA-N |