TL;DR: 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione (CAS 725700-02-7) is a chemical compound with molecular formula C22H24N4O3 and molecular weight 392.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione
Also Known As: 1-ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione, 1-ethyl-3-{4-[4-(pyridin-4-ylcarbonyl)phenyl]piperazin-1-yl}pyrrolidine-2,5-dione, 1-ethyl-3-[4-(4-isonicotinoylphenyl)-1-piperazinyl]-2,5-pyrrolidinedione
| Molecular Formula | C22H24N4O3 |
| Molecular Weight | 392.18484 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 73.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.18484 Da |
| Heavy Atoms | 29 |
| Complexity | 618.0 |
| SMILES | CCN1C(=O)CC(C1=O)N2CCN(CC2)C3=CC=C(C=C3)C(=O)C4=CC=NC=C4 |
| InChIKey | OAXPUSZXUSRALK-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione. The TPSA of 73.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione. Following Lipinski's Rule of Five, 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is 725700-02-7.
The molecular formula of 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is C22H24N4O3.
The molecular weight of 1-Ethyl-3-[4-[4-(pyridine-4-carbonyl)phenyl]piperazin-1-yl]pyrrolidine-2,5-dione is 392.18484 g/mol.
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