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

C11H16N4O4 — CID 23036702

IUPAC1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione
SMILESCC(CN1CCNC(=O)C1=O)N1CCNC(=O)C1=O
InChIInChI=1S/C11H16N4O4/c1-7(15-5-3-13-9(17)11(15)19)6-14-4-2-12-8(16)10(14)18/h7H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyXVFZCQJWWCSBCJ-UHFFFAOYSA-N
MW268.27 g/mol
LogP-2.71
Rot. Bonds3

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

1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione (PubChem CID 23036702) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione
PubChem CID23036702
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione
SMILESCC(CN1CCNC(=O)C1=O)N1CCNC(=O)C1=O
InChIInChI=1S/C11H16N4O4/c1-7(15-5-3-13-9(17)11(15)19)6-14-4-2-12-8(16)10(14)18/h7H,2-6H2,1H3,(H,12,16)(H,13,17)
InChIKeyXVFZCQJWWCSBCJ-UHFFFAOYSA-N
XLogP-2.71
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-2.71
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)propyl]piperazine-2,3-dione?
The IUPAC name of 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione (CID 23036702) is 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione is CC(CN1CCNC(=O)C1=O)N1CCNC(=O)C1=O.
What is the InChIKey of 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione?
The InChIKey is XVFZCQJWWCSBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(15-5-3-13-9(17)11(15)19)6-14-4-2-12-8(16)10(14)18/h7H,2-6H2,1H3,(H,12,16)(H,13,17).
What are the key properties of 1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione?
1-[2-(2,3-dioxopiperazin-1-yl)propyl]piperazine-2,3-dione has a molecular weight of 268.27 g/mol, XLogP of -2.71, 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)propyl]piperazine-2,3-dione is sourced from PubChem (CID 23036702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).