2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide

C16H21N3O4 — CID 108508300

IUPAC2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O4/c1-3-23-14-6-4-13(5-7-14)17-15(21)16(22)19-10-8-18(9-11-19)12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyZZMJJKMNIYGQML-UHFFFAOYSA-N
MW319.36 g/mol
LogP0.71
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide (PubChem CID 108508300) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
PubChem CID108508300
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
SMILESCCOc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C16H21N3O4/c1-3-23-14-6-4-13(5-7-14)17-15(21)16(22)19-10-8-18(9-11-19)12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,21)
InChIKeyZZMJJKMNIYGQML-UHFFFAOYSA-N
XLogP0.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)-2-oxoacetamide
CID 108504516
2-(4-benzylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 44902030
2-(4-acetylpiperazin-1-yl)-N-[4-(diethylamino)phenyl]-2-oxoacetamide
CID 108508432
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108514454
N-(4-ethoxyphenyl)-2-piperidin-1-yl-2-sulfanylideneacetamide
CID 2976563
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
6-(4-acetylpiperazine-1-carbonyl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109097061
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
1-(1-acetylpiperidin-4-yl)-1-cyclopentyl-3-(4-ethoxyphenyl)urea
CID 5001476
ethyl N-[4-[(2-oxo-2-pyrrolidin-1-ylacetyl)amino]phenyl]carbamate
CID 110179174
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
CID 2204010

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide (CID 108508300) is 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide is CCOc1ccc(NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
The InChIKey is ZZMJJKMNIYGQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-3-23-14-6-4-13(5-7-14)17-15(21)16(22)19-10-8-18(9-11-19)12(2)20/h4-7H,3,8-11H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide has a molecular weight of 319.36 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 108508300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).