1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone

C15H21N3O3 — CID 108996173

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-7-9-18(10-8-17)15(20)11-16-13-5-3-4-6-14(13)21-2/h3-6,16H,7-11H2,1-2H3
InChIKeyQPAPFAALEQMELS-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.80
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone (PubChem CID 108996173) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
PubChem CID108996173
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
SMILESCOc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H21N3O3/c1-12(19)17-7-9-18(10-8-17)15(20)11-16-13-5-3-4-6-14(13)21-2/h3-6,16H,7-11H2,1-2H3
InChIKeyQPAPFAALEQMELS-UHFFFAOYSA-N
XLogP0.80
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-(2-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 109003881
2-(2-methoxyanilino)-1-piperazin-1-ylethanone;dihydrochloride
CID 119400813
1-(4-aminopiperidin-1-yl)-2-(2-methoxyanilino)ethanone
CID 119373605
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methoxyanilino)ethanone
CID 119644996
2-(2-ethoxyanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 109004159
2-(2-methoxyanilino)-1-(3-methylpiperazin-1-yl)ethanone
CID 119577129
2-(2-methoxyanilino)-1-[4-(piperidin-1-ylmethyl)piperidin-1-yl]ethanone
CID 22677899
1-(2,3-dihydroindol-1-yl)-2-(2-methoxyanilino)ethanone
CID 9080490
2-chloro-1-[4-(2-methoxyanilino)piperidin-1-yl]ethanone
CID 154803745
2-(2,5-dimethoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28575998
2-(2-ethylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28583393

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone (CID 108996173) is 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone is COc1ccccc1NCC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone?
The InChIKey is QPAPFAALEQMELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-12(19)17-7-9-18(10-8-17)15(20)11-16-13-5-3-4-6-14(13)21-2/h3-6,16H,7-11H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone has a molecular weight of 291.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone is sourced from PubChem (CID 108996173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).