N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide

C13H22N4O2 — CID 66067821

IUPACN'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-2-10-12(19)16-11(18)8-17(10)13(14)15-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyISFDYTCMCQKGGW-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.37
Rot. Bonds2

About N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide

N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide (PubChem CID 66067821) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
PubChem CID66067821
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H22N4O2/c1-2-10-12(19)16-11(18)8-17(10)13(14)15-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H2,14,15)(H,16,18,19)
InChIKeyISFDYTCMCQKGGW-UHFFFAOYSA-N
XLogP0.37
TPSA87.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.37
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-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide (CID 66067821) is N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide is CCC1C(=O)NC(=O)CN1/C(N)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
The InChIKey is ISFDYTCMCQKGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-2-10-12(19)16-11(18)8-17(10)13(14)15-9-6-4-3-5-7-9/h9-10H,2-8H2,1H3,(H2,14,15)(H,16,18,19).
What are the key properties of N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide?
N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide has a molecular weight of 266.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-ethyl-3,5-dioxopiperazine-1-carboximidamide is sourced from PubChem (CID 66067821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).