1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone

C16H22N2O4 — CID 78821506

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-6-8-18(9-7-17)16(20)11-13-10-14(21-2)4-5-15(13)22-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOFTFVPIQIMCBSO-UHFFFAOYSA-N
MW306.36 g/mol
LogP0.94
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone (PubChem CID 78821506) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
PubChem CID78821506
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
SMILESCOc1ccc(OC)c(CC(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C16H22N2O4/c1-12(19)17-6-8-18(9-7-17)16(20)11-13-10-14(21-2)4-5-15(13)22-3/h4-5,10H,6-9,11H2,1-3H3
InChIKeyOFTFVPIQIMCBSO-UHFFFAOYSA-N
XLogP0.94
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone with MolForge

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Related Compounds

2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110767129
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 110800516
2-(2,5-dimethoxyphenyl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 98022284
2-(2,5-dimethoxyphenyl)-1-[4-[(1-methylpiperidin-2-yl)methyl]piperazin-1-yl]ethanone
CID 136524308
1-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 9452417
2-(2,4-dimethoxyphenyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 39948329
1-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-(2,5-dimethoxyphenyl)ethanone
CID 120658666
2-(2,5-dimethoxyphenyl)-1-(3-methylpiperazin-1-yl)ethanone;hydrochloride
CID 119578268
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone (CID 78821506) is 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone is COc1ccc(OC)c(CC(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone?
The InChIKey is OFTFVPIQIMCBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-12(19)17-6-8-18(9-7-17)16(20)11-13-10-14(21-2)4-5-15(13)22-3/h4-5,10H,6-9,11H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone has a molecular weight of 306.36 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 78821506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).