1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone

C16H23N3O2 — CID 108996155

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-15(9-12)17-11-16(21)19-6-4-18(5-7-19)14(3)20/h8-10,17H,4-7,11H2,1-3H3
InChIKeyLWCCJWLIAKHIQW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.41
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone (PubChem CID 108996155) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
PubChem CID108996155
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2cc(C)cc(C)c2)CC1
InChIInChI=1S/C16H23N3O2/c1-12-8-13(2)10-15(9-12)17-11-16(21)19-6-4-18(5-7-19)14(3)20/h8-10,17H,4-7,11H2,1-3H3
InChIKeyLWCCJWLIAKHIQW-UHFFFAOYSA-N
XLogP1.41
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-3-(3,5-dimethylanilino)propan-1-one
CID 109018174
2-(3-fluoro-5-methylanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 79054916
1-(azepan-1-yl)-2-(3-fluoro-5-methylanilino)ethanone
CID 79055078
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
CID 33163268
1-(4-acetylpiperazin-1-yl)-2-(3,4-difluoroanilino)ethanone
CID 108996222
N-[5-[[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]amino]-2-methylphenyl]acetamide
CID 60536365
1-(4-acetylpiperazin-1-yl)-2-(3-chloroanilino)ethanone
CID 108996168
1-[2-(3-fluoro-5-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103255963
1-(4-acetylpiperazin-1-yl)-2-[4-(dimethylamino)anilino]ethanone
CID 108996192
1-(azepan-1-yl)-2-(4-bromo-3,5-dimethylanilino)ethanone
CID 107573726
1-(4-acetylpiperazin-1-yl)-2-[4-(trifluoromethyl)anilino]ethanone
CID 108996185

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone (CID 108996155) is 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone is CC(=O)N1CCN(C(=O)CNc2cc(C)cc(C)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone?
The InChIKey is LWCCJWLIAKHIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-8-13(2)10-15(9-12)17-11-16(21)19-6-4-18(5-7-19)14(3)20/h8-10,17H,4-7,11H2,1-3H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone has a molecular weight of 289.38 g/mol, XLogP of 1.41, 3 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-(3,5-dimethylanilino)ethanone is sourced from PubChem (CID 108996155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).