2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide

C16H22N4O3 — CID 60536680

IUPAC2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(C)c2C(N)=O)CC1
InChIInChI=1S/C16H22N4O3/c1-11-4-3-5-13(15(11)16(17)23)18-10-14(22)20-8-6-19(7-9-20)12(2)21/h3-5,18H,6-10H2,1-2H3,(H2,17,23)
InChIKeyKNXHEQJUZUVSNY-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.20
Rot. Bonds4

About 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide

2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide (PubChem CID 60536680) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide.

Molecular Properties

Compound Name2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
PubChem CID60536680
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide
SMILESCC(=O)N1CCN(C(=O)CNc2cccc(C)c2C(N)=O)CC1
InChIInChI=1S/C16H22N4O3/c1-11-4-3-5-13(15(11)16(17)23)18-10-14(22)20-8-6-19(7-9-20)12(2)21/h3-5,18H,6-10H2,1-2H3,(H2,17,23)
InChIKeyKNXHEQJUZUVSNY-UHFFFAOYSA-N
XLogP0.20
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
2-[[2-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-oxoethyl]amino]-6-methylbenzamide
CID 87029582
1-(4-acetylpiperazin-1-yl)-2-(2-methoxyanilino)ethanone
CID 108996173
N-[3-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 60539008
2-(2-fluoro-3-methylanilino)-1-morpholin-4-ylethanone
CID 113352413
1-(4-acetylpiperazin-1-yl)-2-(4-chloro-2-hydroxy-5-methylanilino)ethanone
CID 134369108
1-(4-benzylpiperazin-1-yl)-2-(2,3-dimethylanilino)ethanone
CID 109002020
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
CID 108996100
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
CID 33163268
1-(azepan-1-yl)-2-(3-bromo-2-methylanilino)ethanone
CID 103721440
ethyl 4-[2-(2-ethyl-6-methylanilino)acetyl]piperazine-1-carboxylate
CID 109003865
2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]amino]-6-methylbenzamide
CID 87029576

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The IUPAC name of 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide (CID 60536680) is 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide.
What is the SMILES notation for 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The canonical SMILES for 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide is CC(=O)N1CCN(C(=O)CNc2cccc(C)c2C(N)=O)CC1.
What is the InChIKey of 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide?
The InChIKey is KNXHEQJUZUVSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-4-3-5-13(15(11)16(17)23)18-10-14(22)20-8-6-19(7-9-20)12(2)21/h3-5,18H,6-10H2,1-2H3,(H2,17,23).
What are the key properties of 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide?
2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide has a molecular weight of 318.38 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-6-methylbenzamide is sourced from PubChem (CID 60536680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).