2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid

C14H22N2O4 — CID 20955815

IUPAC2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCN(C2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-11(14(19)20)16-9-8-15(12(17)13(16)18)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyHYYOLHPPDRFGFG-UHFFFAOYSA-N
MW282.34 g/mol
LogP0.85
Rot. Bonds4

About 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid

2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid (PubChem CID 20955815) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid
PubChem CID20955815
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid
SMILESCCC(C(=O)O)N1CCN(C2CCCCC2)C(=O)C1=O
InChIInChI=1S/C14H22N2O4/c1-2-11(14(19)20)16-9-8-15(12(17)13(16)18)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyHYYOLHPPDRFGFG-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The IUPAC name of 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid (CID 20955815) is 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid.
What is the SMILES notation for 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The canonical SMILES for 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid is CCC(C(=O)O)N1CCN(C2CCCCC2)C(=O)C1=O.
What is the InChIKey of 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid?
The InChIKey is HYYOLHPPDRFGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-2-11(14(19)20)16-9-8-15(12(17)13(16)18)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,19,20).
What are the key properties of 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid?
2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid has a molecular weight of 282.34 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid is sourced from PubChem (CID 20955815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).