N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide

C20H33IN4O2 — CID 111166352

IUPACN-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCC(C)CC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C20H32N4O2.HI/c1-3-21-20(22-15-17-8-6-16(2)7-9-17)24-12-10-23(11-13-24)19(25)18-5-4-14-26-18;/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H,21,22);1H
InChIKeyOCUXIXAZWRGVJW-UHFFFAOYSA-N
MW488.41 g/mol
LogP3.45
Rot. Bonds4

About N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide

N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide (PubChem CID 111166352) has the molecular formula C20H33IN4O2 and a molecular weight of 488.41 g/mol. Its IUPAC name is N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
PubChem CID111166352
Molecular FormulaC20H33IN4O2
Molecular Weight488.41 g/mol
Exact Mass488.16
IUPAC NameN-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CC1CCC(C)CC1)N1CCN(C(=O)c2ccco2)CC1.I
InChIInChI=1S/C20H32N4O2.HI/c1-3-21-20(22-15-17-8-6-16(2)7-9-17)24-12-10-23(11-13-24)19(25)18-5-4-14-26-18;/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H,21,22);1H
InChIKeyOCUXIXAZWRGVJW-UHFFFAOYSA-N
XLogP3.45
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.41
LogP ≤ 53.45
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-ethyl-4-(furan-2-carbonyl)-N'-(thian-4-ylmethyl)piperazine-1-carboximidamide;hydroiodide
CID 119157846
N-ethyl-4-(furan-2-carbonyl)-N'-[(1-methylpyrrolidin-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166648
N'-(2-cyclohexylethyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167054
N'-(2,2-dimethylpropyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119130492
N-ethyl-4-(furan-2-carbonyl)-N'-pentylpiperazine-1-carboximidamide
CID 111166041
N-ethyl-4-(furan-2-carbonyl)-N'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N'-(3,3-dimethylbutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111166082
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-hydroxyphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166610
N-ethyl-4-(furan-2-carbonyl)-N'-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166486
N-ethyl-4-(furan-2-carbonyl)-N'-[3-(4-hydroxypiperidin-1-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 111168186
N'-(4-ethoxybutyl)-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111167864
N'-[(2,4-dimethylphenyl)methyl]-N-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111168524

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide (CID 111166352) is N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide is CCN/C(=N\CC1CCC(C)CC1)N1CCN(C(=O)c2ccco2)CC1.I.
What is the InChIKey of N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide?
The InChIKey is OCUXIXAZWRGVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.HI/c1-3-21-20(22-15-17-8-6-16(2)7-9-17)24-12-10-23(11-13-24)19(25)18-5-4-14-26-18;/h4-5,14,16-17H,3,6-13,15H2,1-2H3,(H,21,22);1H.
What are the key properties of N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide?
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide has a molecular weight of 488.41 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111166352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).