1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone

C16H24N4O2 — CID 108996192

IUPAC1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(21)19-8-10-20(11-9-19)16(22)12-17-14-4-6-15(7-5-14)18(2)3/h4-7,17H,8-12H2,1-3H3
InChIKeyOMMBDKOWIGLOLC-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.86
Rot. Bonds4

About 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone

1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone (PubChem CID 108996192) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
PubChem CID108996192
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(N(C)C)cc2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(21)19-8-10-20(11-9-19)16(22)12-17-14-4-6-15(7-5-14)18(2)3/h4-7,17H,8-12H2,1-3H3
InChIKeyOMMBDKOWIGLOLC-UHFFFAOYSA-N
XLogP0.86
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
2-[4-(dimethylamino)anilino]acetic acid
CID 28744032
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
CID 60536365
2-[4-(diethylamino)anilino]-1-(4-methylpiperidin-1-yl)ethanone
CID 108993776
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanamide
CID 108944450
2-[4-(diethylamino)anilino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 109002161
1-[4-[[4-(dimethylamino)phenyl]methyl]piperazin-1-yl]ethanone
CID 30981259
2-anilino-1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethanone
CID 62890165
2-[4-(dimethylamino)anilino]-N-pentan-3-ylacetamide
CID 60685338

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone (CID 108996192) is 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone is CC(=O)N1CCN(C(=O)CNc2ccc(N(C)C)cc2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone?
The InChIKey is OMMBDKOWIGLOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(21)19-8-10-20(11-9-19)16(22)12-17-14-4-6-15(7-5-14)18(2)3/h4-7,17H,8-12H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone?
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone has a molecular weight of 304.39 g/mol, XLogP of 0.86, 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-[4-(dimethylamino)anilino]ethanone is sourced from PubChem (CID 108996192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).