2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide

C18H25N3O3 — CID 108508281

IUPAC2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-15-5-7-16(8-6-15)13(2)19-17(23)18(24)21-11-9-20(10-12-21)14(3)22/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyDRZHKKMKYUALKF-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.12
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide

2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide (PubChem CID 108508281) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
PubChem CID108508281
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1
InChIInChI=1S/C18H25N3O3/c1-4-15-5-7-16(8-6-15)13(2)19-17(23)18(24)21-11-9-20(10-12-21)14(3)22/h5-8,13H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyDRZHKKMKYUALKF-UHFFFAOYSA-N
XLogP1.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108510968
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108510982
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
2-(4-acetylpiperazin-1-yl)-N-butan-2-yl-2-oxoacetamide
CID 108505389
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
(2R)-2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 103928673
2-amino-N-[1-(4-ethylphenyl)ethyl]-3,3-dimethylbutanamide
CID 76887263
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide (CID 108508281) is 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide is CCc1ccc(C(C)NC(=O)C(=O)N2CCN(C(C)=O)CC2)cc1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide?
The InChIKey is DRZHKKMKYUALKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-4-15-5-7-16(8-6-15)13(2)19-17(23)18(24)21-11-9-20(10-12-21)14(3)22/h5-8,13H,4,9-12H2,1-3H3,(H,19,23).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide?
2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide has a molecular weight of 331.42 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 108508281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).