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

C14H20N4O4 — CID 54430684

IUPAC1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione
SMILESO=C1NCCN(C2CCCCC2N2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C14H20N4O4/c19-11-13(21)17(7-5-15-11)9-3-1-2-4-10(9)18-8-6-16-12(20)14(18)22/h9-10H,1-8H2,(H,15,19)(H,16,20)
InChIKeyWHFUDXRPSCKRPB-UHFFFAOYSA-N
MW308.34 g/mol
LogP-1.79
Rot. Bonds2

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

1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione (PubChem CID 54430684) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione.

Molecular Properties

Compound Name1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione
PubChem CID54430684
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Name1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione
SMILESO=C1NCCN(C2CCCCC2N2CCNC(=O)C2=O)C1=O
InChIInChI=1S/C14H20N4O4/c19-11-13(21)17(7-5-15-11)9-3-1-2-4-10(9)18-8-6-16-12(20)14(18)22/h9-10H,1-8H2,(H,15,19)(H,16,20)
InChIKeyWHFUDXRPSCKRPB-UHFFFAOYSA-N
XLogP-1.79
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-1.79
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)cyclohexyl]piperazine-2,3-dione?
The IUPAC name of 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione (CID 54430684) is 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione.
What is the SMILES notation for 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione?
The canonical SMILES for 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione is O=C1NCCN(C2CCCCC2N2CCNC(=O)C2=O)C1=O.
What is the InChIKey of 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione?
The InChIKey is WHFUDXRPSCKRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c19-11-13(21)17(7-5-15-11)9-3-1-2-4-10(9)18-8-6-16-12(20)14(18)22/h9-10H,1-8H2,(H,15,19)(H,16,20).
What are the key properties of 1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione?
1-[2-(2,3-dioxopiperazin-1-yl)cyclohexyl]piperazine-2,3-dione has a molecular weight of 308.34 g/mol, XLogP of -1.79, 2 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)cyclohexyl]piperazine-2,3-dione is sourced from PubChem (CID 54430684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).