4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide

C20H26N4O — CID 109415458

IUPAC4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCc1cc(CN/C(=N\C)N2CCC(=Cc3ccccc3)CC2)on1
InChIInChI=1S/C20H26N4O/c1-3-18-14-19(25-23-18)15-22-20(21-2)24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,21,22)
InChIKeyNEFYOIJMCVDTOF-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.49
Rot. Bonds4

About 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 109415458) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID109415458
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
SMILESCCc1cc(CN/C(=N\C)N2CCC(=Cc3ccccc3)CC2)on1
InChIInChI=1S/C20H26N4O/c1-3-18-14-19(25-23-18)15-22-20(21-2)24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,21,22)
InChIKeyNEFYOIJMCVDTOF-UHFFFAOYSA-N
XLogP3.49
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.49
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

4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514
4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415045
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 109415517
4-benzylidene-N-[(3-fluoro-4-hydroxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109414828
4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
CID 109414401
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N'-methyl-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 109415152
N'-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-4-phenyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 119131278

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide (CID 109415458) is 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide is CCc1cc(CN/C(=N\C)N2CCC(=Cc3ccccc3)CC2)on1.
What is the InChIKey of 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is NEFYOIJMCVDTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-18-14-19(25-23-18)15-22-20(21-2)24-11-9-17(10-12-24)13-16-7-5-4-6-8-16/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,21,22).
What are the key properties of 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 338.46 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109415458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).