N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

C16H24N4O2 — CID 111167061

IUPACN'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-17-16(18-13-11-12(13)2)20-8-6-19(7-9-20)15(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyVYVFBGSYNHQSTH-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.41
Rot. Bonds3

About N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide

N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (PubChem CID 111167061) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.

Molecular Properties

Compound NameN'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
PubChem CID111167061
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide
SMILESCC/N=C(/NC1CC1C)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C16H24N4O2/c1-3-17-16(18-13-11-12(13)2)20-8-6-19(7-9-20)15(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,18)
InChIKeyVYVFBGSYNHQSTH-UHFFFAOYSA-N
XLogP1.41
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.41
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'}

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Related Compounds

N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119153276
N'-ethyl-4-(furan-2-carbonyl)-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclobutane]-6-ylpiperazine-1-carboximidamide
CID 109391588
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'-(2-methylpropyl)piperazine-1-carboximidamide
CID 111168751
N-ethyl-4-(furan-2-carbonyl)-N'-[(4-methylcyclohexyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166352
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283
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-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
(3,5-dimethylpiperidin-1-yl)-(furan-2-yl)methanone
CID 3554553
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-(furan-2-yl)methanone
CID 669413

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The IUPAC name of N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide (CID 111167061) is N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide.
What is the SMILES notation for N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The canonical SMILES for N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide is CC/N=C(/NC1CC1C)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
The InChIKey is VYVFBGSYNHQSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-3-17-16(18-13-11-12(13)2)20-8-6-19(7-9-20)15(21)14-5-4-10-22-14/h4-5,10,12-13H,3,6-9,11H2,1-2H3,(H,17,18).
What are the key properties of N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide?
N'-ethyl-4-(furan-2-carbonyl)-N-(2-methylcyclopropyl)piperazine-1-carboximidamide has a molecular weight of 304.39 g/mol, XLogP of 1.41, 3 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-(2-methylcyclopropyl)piperazine-1-carboximidamide is sourced from PubChem (CID 111167061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).