TL;DR: Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate (CAS 1008201-54-4) is a chemical compound with molecular formula C14H23N3O4 and molecular weight 297.16885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate
Also Known As: TimTec1_006652, BAS 07100572, methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate, methyl [1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate, methyl 2-(1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl)acetate
| Molecular Formula | C14H23N3O4 |
| Molecular Weight | 297.16885 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.16885 Da |
| Heavy Atoms | 21 |
| Complexity | 407.0 |
| SMILES | COC(=O)CC1C(=O)NCCN1C(=O)NC2CCCCC2 |
| InChIKey | IQSHTNWJFNAZED-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate. Following Lipinski's Rule of Five, Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate has 2 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 Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is 1008201-54-4.
The molecular formula of Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is C14H23N3O4.
The molecular weight of Methyl 2-[1-(cyclohexylcarbamoyl)-3-oxopiperazin-2-yl]acetate is 297.16885 g/mol.
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