N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

C17H24N4O3 — CID 108531247

IUPACN-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)NCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H24N4O3/c1-13-4-3-5-15(12-13)20-8-10-21(11-9-20)17(24)16(23)19-7-6-18-14(2)22/h3-5,12H,6-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyOWVFQHBCCZZNJQ-UHFFFAOYSA-N
MW332.40 g/mol
LogP-0.10
Rot. Bonds4

About N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide

N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108531247) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108531247
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC NameN-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
SMILESCC(=O)NCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1
InChIInChI=1S/C17H24N4O3/c1-13-4-3-5-15(12-13)20-8-10-21(11-9-20)17(24)16(23)19-7-6-18-14(2)22/h3-5,12H,6-11H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyOWVFQHBCCZZNJQ-UHFFFAOYSA-N
XLogP-0.10
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide 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

N-(2-methoxyethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108505043
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(3-phenylpropyl)acetamide
CID 108986075
1-(4-acetylpiperazin-1-yl)-2-[4-(3-methylphenyl)piperazin-1-yl]ethane-1,2-dione
CID 108508453
N-(2-acetamidoethyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514164
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxo-N-(pyridin-2-ylmethyl)acetamide
CID 108518394
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
N-(3-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515042
N-(2-hydroxyphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108514363
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
2-chloro-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 4741226

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide (CID 108531247) is N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is CC(=O)NCCNC(=O)C(=O)N1CCN(c2cccc(C)c2)CC1.
What is the InChIKey of N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is OWVFQHBCCZZNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-13-4-3-5-15(12-13)20-8-10-21(11-9-20)17(24)16(23)19-7-6-18-14(2)22/h3-5,12H,6-11H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide?
N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 332.40 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108531247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).