N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide

C11H18N4O2 — CID 66061814

IUPACN'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H18N4O2/c12-11(13-8-4-2-1-3-5-8)15-6-9(16)14-10(17)7-15/h8H,1-7H2,(H2,12,13)(H,14,16,17)
InChIKeyFYIAICRGNLOKMW-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.41
Rot. Bonds1

About N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide

N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 66061814) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID66061814
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CC(=O)NC(=O)C1
InChIInChI=1S/C11H18N4O2/c12-11(13-8-4-2-1-3-5-8)15-6-9(16)14-10(17)7-15/h8H,1-7H2,(H2,12,13)(H,14,16,17)
InChIKeyFYIAICRGNLOKMW-UHFFFAOYSA-N
XLogP-0.41
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide (CID 66061814) is N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide is N/C(=N\C1CCCCC1)N1CC(=O)NC(=O)C1.
What is the InChIKey of N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is FYIAICRGNLOKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-11(13-8-4-2-1-3-5-8)15-6-9(16)14-10(17)7-15/h8H,1-7H2,(H2,12,13)(H,14,16,17).
What are the key properties of N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide?
N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 238.29 g/mol, XLogP of -0.41, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 66061814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).