4-(cyclohexanecarbonyl)piperazine-2,6-dione

C11H16N2O3 — CID 13063813

IUPAC4-(cyclohexanecarbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)C2CCCCC2)CC(=O)N1
InChIInChI=1S/C11H16N2O3/c14-9-6-13(7-10(15)12-9)11(16)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14,15)
InChIKeyNIBDRGKQDCJLDF-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.05
Rot. Bonds1

About 4-(cyclohexanecarbonyl)piperazine-2,6-dione

4-(cyclohexanecarbonyl)piperazine-2,6-dione (PubChem CID 13063813) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(cyclohexanecarbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(cyclohexanecarbonyl)piperazine-2,6-dione
PubChem CID13063813
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(cyclohexanecarbonyl)piperazine-2,6-dione
SMILESO=C1CN(C(=O)C2CCCCC2)CC(=O)N1
InChIInChI=1S/C11H16N2O3/c14-9-6-13(7-10(15)12-9)11(16)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14,15)
InChIKeyNIBDRGKQDCJLDF-UHFFFAOYSA-N
XLogP0.05
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(piperidine-4-carbonyl)piperazine-2,6-dione
CID 66084412
4-(1-acetylpiperidine-3-carbonyl)piperazine-2,6-dione
CID 66083193
4-(cyclopent-3-ene-1-carbonyl)piperazine-2,6-dione
CID 66082955
4-(1-cyclopentyl-5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 66085474
4-(5-oxopyrrolidine-3-carbonyl)piperazine-2,6-dione
CID 83193614
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
4-(3-methylpiperidine-2-carbonyl)piperazine-2,6-dione
CID 66061811
[4-(azepane-1-carbonyl)piperidin-1-yl]-cyclopentylmethanone
CID 134029844
1-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]imidazolidin-4-one
CID 46994600
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexanecarbonyl)piperazine-2,6-dione?
The IUPAC name of 4-(cyclohexanecarbonyl)piperazine-2,6-dione (CID 13063813) is 4-(cyclohexanecarbonyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(cyclohexanecarbonyl)piperazine-2,6-dione?
The canonical SMILES for 4-(cyclohexanecarbonyl)piperazine-2,6-dione is O=C1CN(C(=O)C2CCCCC2)CC(=O)N1.
What is the InChIKey of 4-(cyclohexanecarbonyl)piperazine-2,6-dione?
The InChIKey is NIBDRGKQDCJLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-9-6-13(7-10(15)12-9)11(16)8-4-2-1-3-5-8/h8H,1-7H2,(H,12,14,15).
What are the key properties of 4-(cyclohexanecarbonyl)piperazine-2,6-dione?
4-(cyclohexanecarbonyl)piperazine-2,6-dione has a molecular weight of 224.26 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexanecarbonyl)piperazine-2,6-dione is sourced from PubChem (CID 13063813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).