N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

C14H16ClN3O3 — CID 7190167

IUPACN-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)cc2)C(=O)C1=O
InChIInChI=1S/C14H16ClN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9H2,1H3,(H,16,19)
InChIKeyAVLRALSJDXDFTO-UHFFFAOYSA-N
MW309.75 g/mol
LogP0.97
Rot. Bonds4

About N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide

N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (PubChem CID 7190167) has the molecular formula C14H16ClN3O3 and a molecular weight of 309.75 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
PubChem CID7190167
Molecular FormulaC14H16ClN3O3
Molecular Weight309.75 g/mol
Exact Mass309.09
IUPAC NameN-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
SMILESCCN1CCN(CC(=O)Nc2ccc(Cl)cc2)C(=O)C1=O
InChIInChI=1S/C14H16ClN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9H2,1H3,(H,16,19)
InChIKeyAVLRALSJDXDFTO-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.75
LogP ≤ 50.97
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-[5-[[2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetyl]amino]-2-fluorophenyl]prop-2-enamide
CID 166404909
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[4-[(2-methylpiperidin-1-yl)methyl]phenyl]acetamide
CID 55972021
N-(4-methylphenyl)-2-[4-[(4-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063836
2-(3-amino-2-oxo-1,3-diazinan-1-yl)-N-(4-chlorophenyl)acetamide
CID 104601172
N-(4-chlorophenyl)-2-(6-oxo-4-propyl-1,3-diazinan-1-yl)acetamide
CID 75119542
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 55787135
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
N-(4-acetamidophenyl)-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063997
N-[2-(ethylaminomethyl)phenyl]-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 119440254
N-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide
CID 127944775
N-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 719174

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide (CID 7190167) is N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is CCN1CCN(CC(=O)Nc2ccc(Cl)cc2)C(=O)C1=O.
What is the InChIKey of N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
The InChIKey is AVLRALSJDXDFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3/c1-2-17-7-8-18(14(21)13(17)20)9-12(19)16-11-5-3-10(15)4-6-11/h3-6H,2,7-9H2,1H3,(H,16,19).
What are the key properties of N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide?
N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide has a molecular weight of 309.75 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(4-ethyl-2,3-dioxopiperazin-1-yl)acetamide is sourced from PubChem (CID 7190167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).