4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide

C16H20ClN3O3 — CID 9032040

IUPAC4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)7-6-15(22)18-14-5-3-2-4-13(14)17/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyYVTODWOXYSNKJK-UHFFFAOYSA-N
MW337.81 g/mol
LogP1.75
Rot. Bonds4

About 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide

4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide (PubChem CID 9032040) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide.

Molecular Properties

Compound Name4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
PubChem CID9032040
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide
SMILESCC(=O)N1CCN(C(=O)CCC(=O)Nc2ccccc2Cl)CC1
InChIInChI=1S/C16H20ClN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)7-6-15(22)18-14-5-3-2-4-13(14)17/h2-5H,6-11H2,1H3,(H,18,22)
InChIKeyYVTODWOXYSNKJK-UHFFFAOYSA-N
XLogP1.75
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide 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)-N-(2-ethylphenyl)-4-oxobutanamide
CID 7603287
4-(4-acetylpiperazin-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)-4-oxobutanamide
CID 9162779
4-(4-acetylpiperazin-1-yl)-N'-[2-(2-chlorophenoxy)acetyl]-4-oxobutanehydrazide
CID 9321254
4-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)-4-oxobutanamide
CID 26589786
N-(2-hydroxyphenyl)-4-oxo-4-piperazin-1-ylbutanamide
CID 39284489
N-[2-(4-acetylpiperazin-1-yl)-3-chlorophenyl]butanamide
CID 17018500
3-(4-benzylpiperazin-1-yl)-N-(2-chlorophenyl)-3-oxopropanamide
CID 108949335
2-[4-(7-aminoheptanoyl)piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 119833651
4-(4-acetylpiperazine-1-carbonyl)-N-(2-chlorophenyl)benzamide
CID 109046496
N-(2-chlorophenyl)-4-(3-methylpyrazol-1-yl)-4-oxobutanamide
CID 917602
3-amino-N-(2-chlorophenyl)propanamide
CID 22692042
N-(2-chlorophenyl)-2-[methyl-[2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]amino]acetamide
CID 8843504

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide?
The IUPAC name of 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide (CID 9032040) is 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide.
What is the SMILES notation for 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide?
The canonical SMILES for 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide is CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccccc2Cl)CC1.
What is the InChIKey of 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide?
The InChIKey is YVTODWOXYSNKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-12(21)19-8-10-20(11-9-19)16(23)7-6-15(22)18-14-5-3-2-4-13(14)17/h2-5H,6-11H2,1H3,(H,18,22).
What are the key properties of 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide?
4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide has a molecular weight of 337.81 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylpiperazin-1-yl)-N-(2-chlorophenyl)-4-oxobutanamide is sourced from PubChem (CID 9032040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).