4-(4-acetylpiperazin-1-yl)butanoyl chloride

C10H17ClN2O2 — CID 39255372

IUPAC4-(4-acetylpiperazin-1-yl)butanoyl chloride
SMILESCC(=O)N1CCN(CCCC(=O)Cl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3
InChIKeyILIVOTFEMYUSOO-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.70
Rot. Bonds4

About 4-(4-acetylpiperazin-1-yl)butanoyl chloride

4-(4-acetylpiperazin-1-yl)butanoyl chloride (PubChem CID 39255372) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)butanoyl chloride.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)butanoyl chloride
PubChem CID39255372
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name4-(4-acetylpiperazin-1-yl)butanoyl chloride
SMILESCC(=O)N1CCN(CCCC(=O)Cl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3
InChIKeyILIVOTFEMYUSOO-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 4-(4-acetylpiperazin-1-yl)butanoyl chloride 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

4-(4-acetylpiperazin-1-yl)butanoic acid
CID 20992242
4-(4-acetylpiperazin-1-yl)butanethioamide
CID 24700662
7-(4-methylpiperazin-1-yl)heptanoyl chloride;hydrochloride
CID 87608449
6-(4-acetyl-1,4-diazepan-1-yl)hexan-2-one
CID 55003112
1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 4739629
1-(4-pent-4-ynylpiperazin-1-yl)ethanone
CID 115872696
ethane;1-[4-(5-methylhexyl)piperazin-1-yl]ethanone
CID 169214701
ethane;1-[4-[2-(4-methylpiperazin-1-yl)ethyl]piperazin-1-yl]ethanone
CID 178104636
4-(4-acetylpiperazin-1-yl)-1-(4-bromophenyl)butan-1-one
CID 43229459
1-[4-(9-bromononyl)-1,4-diazepan-1-yl]ethanone
CID 105343708
1-[4-[2-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]ethyl]piperazin-1-yl]ethanone
CID 178104627
1-[4-[3-[methyl(propan-2-yl)amino]propyl]piperazin-1-yl]ethanone
CID 59289508

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)butanoyl chloride?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)butanoyl chloride (CID 39255372) is 4-(4-acetylpiperazin-1-yl)butanoyl chloride.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)butanoyl chloride?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)butanoyl chloride is CC(=O)N1CCN(CCCC(=O)Cl)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)butanoyl chloride?
The InChIKey is ILIVOTFEMYUSOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-9(14)13-7-5-12(6-8-13)4-2-3-10(11)15/h2-8H2,1H3.
What are the key properties of 4-(4-acetylpiperazin-1-yl)butanoyl chloride?
4-(4-acetylpiperazin-1-yl)butanoyl chloride has a molecular weight of 232.71 g/mol, XLogP of 0.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)butanoyl chloride is sourced from PubChem (CID 39255372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).