1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one

C10H17ClN2O2 — CID 10192718

IUPAC1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one
SMILESCC(=O)N1CCN(C(=O)CCCCl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(14)12-5-7-13(8-6-12)10(15)3-2-4-11/h2-8H2,1H3
InChIKeyICQDKCXYOBJNBY-UHFFFAOYSA-N
MW232.71 g/mol
LogP0.70
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one

1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one (PubChem CID 10192718) has the molecular formula C10H17ClN2O2 and a molecular weight of 232.71 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one
PubChem CID10192718
Molecular FormulaC10H17ClN2O2
Molecular Weight232.71 g/mol
Exact Mass232.10
IUPAC Name1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one
SMILESCC(=O)N1CCN(C(=O)CCCCl)CC1
InChIInChI=1S/C10H17ClN2O2/c1-9(14)12-5-7-13(8-6-12)10(15)3-2-4-11/h2-8H2,1H3
InChIKeyICQDKCXYOBJNBY-UHFFFAOYSA-N
XLogP0.70
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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 ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one (CID 10192718) is 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one is CC(=O)N1CCN(C(=O)CCCCl)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one?
The InChIKey is ICQDKCXYOBJNBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN2O2/c1-9(14)12-5-7-13(8-6-12)10(15)3-2-4-11/h2-8H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one?
1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one has a molecular weight of 232.71 g/mol, XLogP of 0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-4-chlorobutan-1-one is sourced from PubChem (CID 10192718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).