4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide

C22H33N3O — CID 109415148

IUPAC4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1(CCOC)CCC1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O/c1-23-21(24-18-22(11-6-12-22)13-16-26-2)25-14-9-20(10-15-25)17-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16,18H2,1-2H3,(H,23,24)
InChIKeyQROXCATTZNJPGV-UHFFFAOYSA-N
MW355.53 g/mol
LogP3.95
Rot. Bonds6

About 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide

4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide (PubChem CID 109415148) has the molecular formula C22H33N3O and a molecular weight of 355.53 g/mol. Its IUPAC name is 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide
PubChem CID109415148
Molecular FormulaC22H33N3O
Molecular Weight355.53 g/mol
Exact Mass355.26
IUPAC Name4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide
SMILESC/N=C(\NCC1(CCOC)CCC1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H33N3O/c1-23-21(24-18-22(11-6-12-22)13-16-26-2)25-14-9-20(10-15-25)17-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16,18H2,1-2H3,(H,23,24)
InChIKeyQROXCATTZNJPGV-UHFFFAOYSA-N
XLogP3.95
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.53
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
N-[[1-(2-methoxyethyl)cyclopentyl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide;hydroiodide
CID 109425823
4-benzylidene-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415041
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-(2-methoxyethyl)acetamide;hydroiodide
CID 109414683
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
4-benzylidene-N-ethyl-N'-[2-(2-methoxyethoxy)ethyl]piperidine-1-carboximidamide
CID 109414630
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propylacetamide;hydroiodide
CID 109414496
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide (CID 109415148) is 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide is C/N=C(\NCC1(CCOC)CCC1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide?
The InChIKey is QROXCATTZNJPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O/c1-23-21(24-18-22(11-6-12-22)13-16-26-2)25-14-9-20(10-15-25)17-19-7-4-3-5-8-19/h3-5,7-8,17H,6,9-16,18H2,1-2H3,(H,23,24).
What are the key properties of 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide?
4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide has a molecular weight of 355.53 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 109415148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).