1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone

C16H23N3O2 — CID 108996100

IUPAC1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNCc2ccccc2C)CC1
InChIInChI=1S/C16H23N3O2/c1-13-5-3-4-6-15(13)11-17-12-16(21)19-9-7-18(8-10-19)14(2)20/h3-6,17H,7-12H2,1-2H3
InChIKeyQNUOGRFJKVWIEU-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.78
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone (PubChem CID 108996100) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
PubChem CID108996100
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNCc2ccccc2C)CC1
InChIInChI=1S/C16H23N3O2/c1-13-5-3-4-6-15(13)11-17-12-16(21)19-9-7-18(8-10-19)14(2)20/h3-6,17H,7-12H2,1-2H3
InChIKeyQNUOGRFJKVWIEU-UHFFFAOYSA-N
XLogP0.78
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-methylphenyl)methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 108996536
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
2-(4-acetylpiperazin-1-yl)-N-[(2-methylphenyl)methyl]-2-oxoacetamide
CID 108984475
N-[(2-methylphenyl)methyl]-2-[(2-methylphenyl)methylamino]acetamide
CID 108996489
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
1-(4-acetylpiperazine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974414
2-[(2-methylphenyl)methylamino]-N-(2-methylpropyl)acetamide
CID 60695447
2-[(2-methoxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 28570278
1-benzyl-3-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]urea
CID 27841214
1-(azepan-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 28570429
2-[(2-fluorophenyl)methylamino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993727
(Z)-3-methyl-4-[(2-methylphenyl)methylamino]but-2-enoic acid
CID 103239794

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone (CID 108996100) is 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone is CC(=O)N1CCN(C(=O)CNCc2ccccc2C)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone?
The InChIKey is QNUOGRFJKVWIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-13-5-3-4-6-15(13)11-17-12-16(21)19-9-7-18(8-10-19)14(2)20/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone has a molecular weight of 289.38 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-[(2-methylphenyl)methylamino]ethanone is sourced from PubChem (CID 108996100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).