5-cyclohexyl-5-methylpiperazine-2,3-dione

C11H18N2O2 — CID 116856177

IUPAC5-cyclohexyl-5-methylpiperazine-2,3-dione
SMILESCC1(C2CCCCC2)CNC(=O)C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-11(8-5-3-2-4-6-8)7-12-9(14)10(15)13-11/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyJIKSJPTZTPMPDD-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.57
Rot. Bonds1

About 5-cyclohexyl-5-methylpiperazine-2,3-dione

5-cyclohexyl-5-methylpiperazine-2,3-dione (PubChem CID 116856177) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-cyclohexyl-5-methylpiperazine-2,3-dione.

Molecular Properties

Compound Name5-cyclohexyl-5-methylpiperazine-2,3-dione
PubChem CID116856177
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name5-cyclohexyl-5-methylpiperazine-2,3-dione
SMILESCC1(C2CCCCC2)CNC(=O)C(=O)N1
InChIInChI=1S/C11H18N2O2/c1-11(8-5-3-2-4-6-8)7-12-9(14)10(15)13-11/h8H,2-7H2,1H3,(H,12,14)(H,13,15)
InChIKeyJIKSJPTZTPMPDD-UHFFFAOYSA-N
XLogP0.57
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 115013336
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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-5-methylpiperazine-2,3-dione?
The IUPAC name of 5-cyclohexyl-5-methylpiperazine-2,3-dione (CID 116856177) is 5-cyclohexyl-5-methylpiperazine-2,3-dione.
What is the SMILES notation for 5-cyclohexyl-5-methylpiperazine-2,3-dione?
The canonical SMILES for 5-cyclohexyl-5-methylpiperazine-2,3-dione is CC1(C2CCCCC2)CNC(=O)C(=O)N1.
What is the InChIKey of 5-cyclohexyl-5-methylpiperazine-2,3-dione?
The InChIKey is JIKSJPTZTPMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(8-5-3-2-4-6-8)7-12-9(14)10(15)13-11/h8H,2-7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 5-cyclohexyl-5-methylpiperazine-2,3-dione?
5-cyclohexyl-5-methylpiperazine-2,3-dione has a molecular weight of 210.28 g/mol, XLogP of 0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-5-methylpiperazine-2,3-dione is sourced from PubChem (CID 116856177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).