2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide

C15H20N4O3 — CID 108529326

IUPAC2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H20N4O3/c1-2-18-7-9-19(10-8-18)15(22)14(21)17-12-6-4-3-5-11(12)13(16)20/h3-6H,2,7-10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyIGXOMYGLRCVPOE-UHFFFAOYSA-N
MW304.35 g/mol
LogP-0.11
Rot. Bonds3

About 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide

2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide (PubChem CID 108529326) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide.

Molecular Properties

Compound Name2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
PubChem CID108529326
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide
SMILESCCN1CCN(C(=O)C(=O)Nc2ccccc2C(N)=O)CC1
InChIInChI=1S/C15H20N4O3/c1-2-18-7-9-19(10-8-18)15(22)14(21)17-12-6-4-3-5-11(12)13(16)20/h3-6H,2,7-10H2,1H3,(H2,16,20)(H,17,21)
InChIKeyIGXOMYGLRCVPOE-UHFFFAOYSA-N
XLogP-0.11
TPSA95.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide 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

2-[[2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetyl]amino]benzamide
CID 108529398
ethyl 2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetyl]amino]benzoate
CID 108501814
N-(2,5-difluorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108529715
methyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropanoyl]amino]benzoate
CID 108944622
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
N-(2,4-dichlorophenyl)-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108502879
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-2,2-dimethyl-3-oxopropanoyl]amino]benzoate
CID 108961005
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-(2-hydroxyphenyl)-2-oxoacetamide
CID 108514264
2-[[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]amino]benzamide
CID 108529414
ethyl 4-[2-(2-chloroanilino)-2-oxoacetyl]piperazine-1-carboxylate
CID 108500387

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide?
The IUPAC name of 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide (CID 108529326) is 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide.
What is the SMILES notation for 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide?
The canonical SMILES for 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide is CCN1CCN(C(=O)C(=O)Nc2ccccc2C(N)=O)CC1.
What is the InChIKey of 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide?
The InChIKey is IGXOMYGLRCVPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-2-18-7-9-19(10-8-18)15(22)14(21)17-12-6-4-3-5-11(12)13(16)20/h3-6H,2,7-10H2,1H3,(H2,16,20)(H,17,21).
What are the key properties of 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide?
2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide has a molecular weight of 304.35 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-ethylpiperazin-1-yl)-2-oxoacetyl]amino]benzamide is sourced from PubChem (CID 108529326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).