1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione

C10H14N4O4 — CID 23455143

IUPAC1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione
SMILESO=C1NCCN(CCN2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C10H14N4O4/c15-7-9(17)13(3-1-11-7)5-6-14-4-2-12-8(16)10(14)18/h1-6H2,(H,11,15)(H,12,16)
InChIKeyDWJYTIVVKCZHRH-UHFFFAOYSA-N
MW254.25 g/mol
LogP-3.10
Rot. Bonds3

About 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione

1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione (PubChem CID 23455143) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione
PubChem CID23455143
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione
SMILESO=C1NCCN(CCN2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C10H14N4O4/c15-7-9(17)13(3-1-11-7)5-6-14-4-2-12-8(16)10(14)18/h1-6H2,(H,11,15)(H,12,16)
InChIKeyDWJYTIVVKCZHRH-UHFFFAOYSA-N
XLogP-3.10
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-3.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione?
The IUPAC name of 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione (CID 23455143) is 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione is O=C1NCCN(CCN2CCNC(=O)C2=O)C1=O.
What is the InChIKey of 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione?
The InChIKey is DWJYTIVVKCZHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c15-7-9(17)13(3-1-11-7)5-6-14-4-2-12-8(16)10(14)18/h1-6H2,(H,11,15)(H,12,16).
What are the key properties of 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione?
1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione has a molecular weight of 254.25 g/mol, XLogP of -3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dioxopiperazin-1-yl)ethyl]piperazine-2,3-dione is sourced from PubChem (CID 23455143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).