TL;DR: Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone (CAS 524058-53-5) is a chemical compound with molecular formula C20H30N2O2 and molecular weight 330.23074 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
azepan-1-yl-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
Also Known As: azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone, AT-057/43319109, azepan-1-yl-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone, 1-{[1-(4-methoxybenzyl)-3-piperidinyl]carbonyl}azepane, 1-{1-[(4-methoxyphenyl)methyl]piperidine-3-carbonyl}azepane
| Molecular Formula | C20H30N2O2 |
| Molecular Weight | 330.23074 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.23074 Da |
| Heavy Atoms | 24 |
| Complexity | 385.0 |
| SMILES | COC1=CC=C(C=C1)CN2CCCC(C2)C(=O)N3CCCCCC3 |
| InChIKey | BXUMZSCTKAQEKH-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone. With a topological polar surface area (TPSA) of 32.8 Ų, Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone is 524058-53-5.
The molecular formula of Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone is C20H30N2O2.
The molecular weight of Azepan-1-yl[1-(4-methoxybenzyl)piperidin-3-yl]methanone is 330.23074 g/mol.
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