TL;DR: Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate (CAS 1008040-09-2) is a chemical compound with molecular formula C15H21N3O3 and molecular weight 291.1583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[1-[(6-methyl-2-pyridinyl)methyl]-3-oxopiperazin-2-yl]acetate
Also Known As: BAS 12719681, VU0507757-1, F3034-0103, ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate, ethyl {1-[(6-methyl-2-pyridinyl)methyl]-3-oxo-2-piperazinyl}acetate
| Molecular Formula | C15H21N3O3 |
| Molecular Weight | 291.1583 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 71.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 291.1583 Da |
| Heavy Atoms | 21 |
| Complexity | 375.0 |
| SMILES | CCOC(=O)CC1C(=O)NCCN1CC2=CC=CC(=N2)C |
| InChIKey | DVRHLZHHZZWTOJ-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate. The TPSA of 71.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate. Following Lipinski's Rule of Five, Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate 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 Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate is 1008040-09-2.
The molecular formula of Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate is C15H21N3O3.
The molecular weight of Ethyl 2-(1-((6-methylpyridin-2-yl)methyl)-3-oxopiperazin-2-yl)acetate is 291.1583 g/mol.
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