N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

C16H25IN4O2 — CID 119153276

IUPACN-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C16H24N4O2.HI/c1-2-17-16(18-13-5-3-6-13)20-10-8-19(9-11-20)15(21)14-7-4-12-22-14;/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,18);1H
InChIKeyVGEMRPYIJBCDLT-UHFFFAOYSA-N
MW432.31 g/mol
LogP2.17
Rot. Bonds3

About N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide

N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (PubChem CID 119153276) has the molecular formula C16H25IN4O2 and a molecular weight of 432.31 g/mol. Its IUPAC name is N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
PubChem CID119153276
Molecular FormulaC16H25IN4O2
Molecular Weight432.31 g/mol
Exact Mass432.10
IUPAC NameN-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
SMILESCC/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C16H24N4O2.HI/c1-2-17-16(18-13-5-3-6-13)20-10-8-19(9-11-20)15(21)14-7-4-12-22-14;/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,18);1H
InChIKeyVGEMRPYIJBCDLT-UHFFFAOYSA-N
XLogP2.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283
N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
CID 111167061
N-cyclopentyl-4-(furan-2-carbonyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110020749
N'-ethyl-4-(furan-2-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperazine-1-carboximidamide;hydroiodide
CID 109391587
N'-ethyl-4-(furan-2-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperazine-1-carboximidamide
CID 109391588
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
N'-(2-cyclohexylethyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167054
4-acetyl-N-cyclopentyl-N'-[2-(furan-2-yl)ethyl]piperazine-1-carboximidamide;hydroiodide
CID 111493547
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166352
N'-(2,2-dimethylpropyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119130492
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166648

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide (CID 119153276) is N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is CC/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
The InChIKey is VGEMRPYIJBCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.HI/c1-2-17-16(18-13-5-3-6-13)20-10-8-19(9-11-20)15(21)14-7-4-12-22-14;/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,17,18);1H.
What are the key properties of N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide?
N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide has a molecular weight of 432.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 119153276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).