N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide

C13H24N4O — CID 55216929

IUPACN'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-2-11-12(18)15-8-9-17(11)13(14)16-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyJNWKFVKBQORZGK-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.84
Rot. Bonds2

About N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide

N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide (PubChem CID 55216929) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide
PubChem CID55216929
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide
SMILESCCC1C(=O)NCCN1/C(N)=N/C1CCCCC1
InChIInChI=1S/C13H24N4O/c1-2-11-12(18)15-8-9-17(11)13(14)16-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H2,14,16)(H,15,18)
InChIKeyJNWKFVKBQORZGK-UHFFFAOYSA-N
XLogP0.84
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.84
H-Bond Donors ≤ 52
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-2-ethyl-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide (CID 55216929) is N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide is CCC1C(=O)NCCN1/C(N)=N/C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is JNWKFVKBQORZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-2-11-12(18)15-8-9-17(11)13(14)16-10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide?
N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 252.36 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-ethyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 55216929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).