2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

C18H22N4O4 — CID 55699414

IUPAC2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)C1=O
InChIInChI=1S/C18H22N4O4/c1-2-20-9-10-21(18(26)17(20)25)12-15(23)19-13-5-3-6-14(11-13)22-8-4-7-16(22)24/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,19,23)
InChIKeyMXZXJLLUNKWVRM-UHFFFAOYSA-N
MW358.40 g/mol
LogP0.44
Rot. Bonds5

About 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (PubChem CID 55699414) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
PubChem CID55699414
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Name2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
SMILESCCN1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)C1=O
InChIInChI=1S/C18H22N4O4/c1-2-20-9-10-21(18(26)17(20)25)12-15(23)19-13-5-3-6-14(11-13)22-8-4-7-16(22)24/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,19,23)
InChIKeyMXZXJLLUNKWVRM-UHFFFAOYSA-N
XLogP0.44
TPSA90.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.44
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

2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetamide
CID 55911786
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 17449983
2-(4-acetamidophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 36562536
N-(3-acetylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9209614
4-(methylamino)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]butanamide;hydrochloride
CID 119692821
[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl] 2,2-dimethylpropanoate
CID 7686879
1-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)anilino]ethyl]pyrrolidine-2-carboxylic acid
CID 119909551
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 7686856
N-[3-(2-oxopyrrolidin-1-yl)phenyl]-2-(2-phenylpyrrolidin-1-yl)acetamide
CID 51313660
2-(2,5-dimethylmorpholin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46596271
2-(2-methyl-2,3-dihydroindol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 46657873
3-[2-oxo-2-[3-(2-oxopiperidin-1-yl)anilino]ethyl]benzoic acid
CID 120549405

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The IUPAC name of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide (CID 55699414) is 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The canonical SMILES for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is CCN1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C(=O)C1=O.
What is the InChIKey of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
The InChIKey is MXZXJLLUNKWVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-2-20-9-10-21(18(26)17(20)25)12-15(23)19-13-5-3-6-14(11-13)22-8-4-7-16(22)24/h3,5-6,11H,2,4,7-10,12H2,1H3,(H,19,23).
What are the key properties of 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide?
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide has a molecular weight of 358.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide is sourced from PubChem (CID 55699414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).