TL;DR: 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005137-68-7) is a chemical compound with molecular formula C20H24N2O4 and molecular weight 356.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-(4-(3-methoxyphenyl)piperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(3-methoxyphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(3-methoxyphenyl)piperazinyl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxy lic acid, 6-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic Acid
| Molecular Formula | C20H24N2O4 |
| Molecular Weight | 356.1736 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.1736 Da |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
| SMILES | COC1=CC=CC(=C1)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
| InChIKey | KUUWFNGPAWIKMU-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005137-68-7.
The molecular formula of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C20H24N2O4.
The molecular weight of 2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 356.1736 g/mol.
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