N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

C15H22N4O2 — CID 119153283

IUPACN-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-15(17-12-4-2-5-12)19-9-7-18(8-10-19)14(20)13-6-3-11-21-13/h3,6,11-12H,2,4-5,7-10H2,1H3,(H,16,17)
InChIKeyNZHJTACWFIIWIB-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.17
Rot. Bonds2

About N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide

N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (PubChem CID 119153283) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
PubChem CID119153283
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC NameN-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
SMILESC/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C15H22N4O2/c1-16-15(17-12-4-2-5-12)19-9-7-18(8-10-19)14(20)13-6-3-11-21-13/h3,6,11-12H,2,4-5,7-10H2,1H3,(H,16,17)
InChIKeyNZHJTACWFIIWIB-UHFFFAOYSA-N
XLogP1.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.17
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'}

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Related Compounds

N-cyclobutyl-N'-ethyl-4-(furan-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 119153276
N-(2-cyclohexyl-2-hydroxyethyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119130501
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
4-(furan-2-carbonyl)-N'-methyl-N-spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-ylpiperazine-1-carboximidamide;hydroiodide
CID 109401348
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-(3-methylbutyl)piperazine-1-carboximidamide
CID 111168423
N-cyclopentyl-4-(furan-2-carbonyl)-N'-[(4-nitrophenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 110020749
4-(furan-2-carbonyl)-N'-methyl-N-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]piperazine-1-carboximidamide
CID 111169022
N-(3-cyclohexyloxypropyl)-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 111166877
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The IUPAC name of N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide (CID 119153283) is N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide.
What is the SMILES notation for N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The canonical SMILES for N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is C/N=C(/NC1CCC1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
The InChIKey is NZHJTACWFIIWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-16-15(17-12-4-2-5-12)19-9-7-18(8-10-19)14(20)13-6-3-11-21-13/h3,6,11-12H,2,4-5,7-10H2,1H3,(H,16,17).
What are the key properties of N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide?
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide has a molecular weight of 290.37 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide is sourced from PubChem (CID 119153283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).