N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide

C12H22N4O — CID 64694280

IUPACN'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C2CCCCC2)CC1=O
InChIInChI=1S/C12H22N4O/c1-15-7-8-16(9-11(15)17)12(13)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,14)
InChIKeyGDEBUWHBHVRXPQ-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.41
Rot. Bonds1

About N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide

N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide (PubChem CID 64694280) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide
PubChem CID64694280
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide
SMILESCN1CCN(/C(N)=N/C2CCCCC2)CC1=O
InChIInChI=1S/C12H22N4O/c1-15-7-8-16(9-11(15)17)12(13)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,14)
InChIKeyGDEBUWHBHVRXPQ-UHFFFAOYSA-N
XLogP0.41
TPSA61.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide (CID 64694280) is N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide is CN1CCN(/C(N)=N/C2CCCCC2)CC1=O.
What is the InChIKey of N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is GDEBUWHBHVRXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-15-7-8-16(9-11(15)17)12(13)14-10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H2,13,14).
What are the key properties of N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide?
N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 238.33 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-4-methyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 64694280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).