TL;DR: 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1166836-38-9) is a chemical compound with molecular formula C22H26N2O3 and molecular weight 366.19434 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: IDI1_003432, 3-[(4-cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[4-[(E)-3-phenylprop-2-enyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-({4-[(2E)-3-phenylprop-2-enyl]piperazin-1-yl}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
| Molecular Formula | C22H26N2O3 |
| Molecular Weight | 366.19434 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.19434 Da |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
| SMILES | C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
| InChIKey | UMRYQUBZRNBMRO-QPJJXVBHSA-N |
The XLogP value of -0.1 indicates that 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1166836-38-9.
The molecular formula of 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C22H26N2O3.
The molecular weight of 3-[(4-Cinnamyl-1-piperazinyl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 366.19434 g/mol.
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