N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide

C16H23N3O2 — CID 108518814

IUPACN-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-18-9-11-19(12-10-18)16(21)15(20)17(2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyHOABTNVUNCQIQY-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.81
Rot. Bonds3

About N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide

N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide (PubChem CID 108518814) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound NameN-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
PubChem CID108518814
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide
SMILESCCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2)CC1
InChIInChI=1S/C16H23N3O2/c1-3-18-9-11-19(12-10-18)16(21)15(20)17(2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3
InChIKeyHOABTNVUNCQIQY-UHFFFAOYSA-N
XLogP0.81
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-(4-ethylpiperazine-1-carbonyl)-N-methylcyclopropane-1-carboxamide
CID 109134323
N-benzyl-2-[4-(3-chlorophenyl)piperazin-1-yl]-N-methyl-2-oxoacetamide
CID 108518852
N-benzyl-N,4-diethylpiperazine-1-carboxamide
CID 108988476
N-benzyl-2-(4-ethylpiperazin-1-yl)-2-oxoacetamide
CID 108508950
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
N-benzyl-5-(4-ethylpiperazin-1-yl)-N-methylpyridine-2-carboxamide
CID 109186763
3-[benzyl(ethyl)amino]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 109017462
3-[benzyl(methyl)amino]-2,3-dioxopropanoic acid
CID 130891258
2-(4-benzylpiperazin-1-yl)-N-(4-hydroxyphenyl)-N-methyl-2-oxoacetamide
CID 108516956
2-(4-benzylpiperazin-1-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-oxoacetamide
CID 108507177
N-benzyl-N-methyl-2-oxo-2-phenylacetamide
CID 15890511
N-benzyl-3-(4-benzylpiperazin-1-yl)-N-methylpropanamide
CID 109020407

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide?
The IUPAC name of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide (CID 108518814) is N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide?
The canonical SMILES for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide is CCN1CCN(C(=O)C(=O)N(C)Cc2ccccc2)CC1.
What is the InChIKey of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide?
The InChIKey is HOABTNVUNCQIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-18-9-11-19(12-10-18)16(21)15(20)17(2)13-14-7-5-4-6-8-14/h4-8H,3,9-13H2,1-2H3.
What are the key properties of N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide?
N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide has a molecular weight of 289.38 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(4-ethylpiperazin-1-yl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 108518814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).