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

C11H20N4O — CID 62361386

IUPACN'-cyclohexyl-3-oxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCNC(=O)C1
InChIInChI=1S/C11H20N4O/c12-11(14-9-4-2-1-3-5-9)15-7-6-13-10(16)8-15/h9H,1-8H2,(H2,12,14)(H,13,16)
InChIKeyMOMSSLJQUNHPDZ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.07
Rot. Bonds1

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

N'-cyclohexyl-3-oxopiperazine-1-carboximidamide (PubChem CID 62361386) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N'-cyclohexyl-3-oxopiperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-3-oxopiperazine-1-carboximidamide
PubChem CID62361386
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN'-cyclohexyl-3-oxopiperazine-1-carboximidamide
SMILESN/C(=N\C1CCCCC1)N1CCNC(=O)C1
InChIInChI=1S/C11H20N4O/c12-11(14-9-4-2-1-3-5-9)15-7-6-13-10(16)8-15/h9H,1-8H2,(H2,12,14)(H,13,16)
InChIKeyMOMSSLJQUNHPDZ-UHFFFAOYSA-N
XLogP0.07
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.07
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-3-oxopiperazine-1-carboximidamide?
The IUPAC name of N'-cyclohexyl-3-oxopiperazine-1-carboximidamide (CID 62361386) is N'-cyclohexyl-3-oxopiperazine-1-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-3-oxopiperazine-1-carboximidamide?
The canonical SMILES for N'-cyclohexyl-3-oxopiperazine-1-carboximidamide is N/C(=N\C1CCCCC1)N1CCNC(=O)C1.
What is the InChIKey of N'-cyclohexyl-3-oxopiperazine-1-carboximidamide?
The InChIKey is MOMSSLJQUNHPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c12-11(14-9-4-2-1-3-5-9)15-7-6-13-10(16)8-15/h9H,1-8H2,(H2,12,14)(H,13,16).
What are the key properties of N'-cyclohexyl-3-oxopiperazine-1-carboximidamide?
N'-cyclohexyl-3-oxopiperazine-1-carboximidamide has a molecular weight of 224.31 g/mol, XLogP of 0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-3-oxopiperazine-1-carboximidamide is sourced from PubChem (CID 62361386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).