4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide

C22H24N4O3 — CID 119130357

IUPAC4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O3/c1-23-22(24-16-18-9-10-19(29-18)17-6-3-2-4-7-17)26-13-11-25(12-14-26)21(27)20-8-5-15-28-20/h2-10,15H,11-14,16H2,1H3,(H,23,24)
InChIKeyBKYDRMVENUIRRB-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.07
Rot. Bonds4

About 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide

4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide (PubChem CID 119130357) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide
PubChem CID119130357
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C22H24N4O3/c1-23-22(24-16-18-9-10-19(29-18)17-6-3-2-4-7-17)26-13-11-25(12-14-26)21(27)20-8-5-15-28-20/h2-10,15H,11-14,16H2,1H3,(H,23,24)
InChIKeyBKYDRMVENUIRRB-UHFFFAOYSA-N
XLogP3.07
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

4-(furan-2-carbonyl)-N'-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 119130370
4-(furan-2-carbonyl)-N'-methyl-N-(naphthalen-1-ylmethyl)piperazine-1-carboximidamide
CID 111167773
2-[[C-[4-(furan-2-carbonyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]-N-methylacetamide
CID 119130465
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 111168515
4-(furan-2-carbonyl)-N'-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboximidamide
CID 111167133
4-(furan-2-carbonyl)-N-[2-(furan-2-yl)ethyl]-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111168514
N-[(5-bromothiophen-2-yl)methyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167920
N-[2-[benzyl(methyl)amino]ethyl]-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111167108
4-(furan-2-carbonyl)-N'-methyl-N-[(2-phenyloxan-3-yl)methyl]piperazine-1-carboximidamide
CID 111166065
4-(furan-2-carbonyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111168898
4-(furan-2-carbonyl)-N'-methyl-N-[(4-methylsulfonylphenyl)methyl]piperazine-1-carboximidamide;hydroiodide
CID 111166990
N-butyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111166854

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide (CID 119130357) is 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide is C/N=C(\NCc1ccc(-c2ccccc2)o1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide?
The InChIKey is BKYDRMVENUIRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-23-22(24-16-18-9-10-19(29-18)17-6-3-2-4-7-17)26-13-11-25(12-14-26)21(27)20-8-5-15-28-20/h2-10,15H,11-14,16H2,1H3,(H,23,24).
What are the key properties of 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide?
4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide has a molecular weight of 392.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-carbonyl)-N'-methyl-N-[(5-phenylfuran-2-yl)methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119130357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).