4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide

C10H14N4O4 — CID 70391006

IUPAC4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CNC2=O)C(=O)C1=O
InChIInChI=1S/C10H14N4O4/c1-2-13-3-4-14(9(17)8(13)16)10(18)12-6-5-11-7(6)15/h6H,2-5H2,1H3,(H,11,15)(H,12,18)
InChIKeyXSXCHHWBSGJZSS-UHFFFAOYSA-N
MW254.25 g/mol
LogP-2.11
Rot. Bonds2

About 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide

4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide (PubChem CID 70391006) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide
PubChem CID70391006
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide
SMILESCCN1CCN(C(=O)NC2CNC2=O)C(=O)C1=O
InChIInChI=1S/C10H14N4O4/c1-2-13-3-4-14(9(17)8(13)16)10(18)12-6-5-11-7(6)15/h6H,2-5H2,1H3,(H,11,15)(H,12,18)
InChIKeyXSXCHHWBSGJZSS-UHFFFAOYSA-N
XLogP-2.11
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-2.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide (CID 70391006) is 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide is CCN1CCN(C(=O)NC2CNC2=O)C(=O)C1=O.
What is the InChIKey of 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide?
The InChIKey is XSXCHHWBSGJZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-2-13-3-4-14(9(17)8(13)16)10(18)12-6-5-11-7(6)15/h6H,2-5H2,1H3,(H,11,15)(H,12,18).
What are the key properties of 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide?
4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of -2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,3-dioxo-N-(2-oxoazetidin-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 70391006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).