ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Chemical Structure Depiction of
ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate
Compound characteristics
| Compound ID: | C667-0192 |
| Compound Name: | ethyl 1-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-3,4-dioxocyclobut-1-en-1-yl}piperidine-4-carboxylate |
| Molecular Weight: | 425.53 |
| Molecular Formula: | C24 H31 N3 O4 |
| Smiles: | CCOC(C1CCN(CC1)C1=C(C(C1=O)=O)N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1831 |
| logD: | 4.1828 |
| logSw: | -4.1193 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.509 |
| InChI Key: | PDXVCIYIBGKSPO-UHFFFAOYSA-N |