1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone

C15H20BrN3O2 — CID 33163268

IUPAC1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-11-3-4-14(13(16)9-11)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyQBEFDPPNTMRLLF-UHFFFAOYSA-N
MW354.25 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone

1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone (PubChem CID 33163268) has the molecular formula C15H20BrN3O2 and a molecular weight of 354.25 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
PubChem CID33163268
Molecular FormulaC15H20BrN3O2
Molecular Weight354.25 g/mol
Exact Mass353.07
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone
SMILESCC(=O)N1CCN(C(=O)CNc2ccc(C)cc2Br)CC1
InChIInChI=1S/C15H20BrN3O2/c1-11-3-4-14(13(16)9-11)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3
InChIKeyQBEFDPPNTMRLLF-UHFFFAOYSA-N
XLogP1.86
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromo-4-methylanilino)acetyl]piperidine-4-carboxylic acid
CID 103231678
2-(2-bromo-5-methylanilino)-1-pyrrolidin-1-ylethanone
CID 82713605
2-(2-bromo-4-methylanilino)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 33163163
1-(4-acetylpiperazin-1-yl)-2-(3,5-dimethylanilino)ethanone
CID 108996155
2-(2-bromo-4-methylanilino)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 37253834
4-[2-(2,4-dimethylanilino)acetyl]piperazine-1-carbaldehyde
CID 108995956
2-(2-fluoro-4-methylanilino)-1-piperidin-1-ylethanone
CID 28826126
2-(2-bromo-4-fluoroanilino)-1-piperidin-1-ylethanone
CID 28939346
2-(2-bromo-4-chloroanilino)-1-piperidin-1-ylethanone
CID 80979229
1-(4-acetylpiperazin-1-yl)-2-(2-ethylanilino)ethanone
CID 108996156
1-[4-(2-bromo-5-methylphenyl)sulfanylpiperazin-1-yl]ethanone
CID 143218548
2-(2-bromoanilino)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 42069158

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone (CID 33163268) is 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone is CC(=O)N1CCN(C(=O)CNc2ccc(C)cc2Br)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone?
The InChIKey is QBEFDPPNTMRLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3O2/c1-11-3-4-14(13(16)9-11)17-10-15(21)19-7-5-18(6-8-19)12(2)20/h3-4,9,17H,5-8,10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(2-bromo-4-methylanilino)ethanone has a molecular weight of 354.25 g/mol, XLogP of 1.86, 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-(2-bromo-4-methylanilino)ethanone is sourced from PubChem (CID 33163268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).