4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

C25H32N4O — CID 109415517

IUPAC4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCOCC2)cc1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C25H32N4O/c1-26-25(29-13-11-22(12-14-29)19-21-5-3-2-4-6-21)27-20-23-7-9-24(10-8-23)28-15-17-30-18-16-28/h2-10,19H,11-18,20H2,1H3,(H,26,27)
InChIKeyIMGYDQNUDAWBQR-UHFFFAOYSA-N
MW404.56 g/mol
LogP3.78
Rot. Bonds4

About 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide

4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (PubChem CID 109415517) has the molecular formula C25H32N4O and a molecular weight of 404.56 g/mol. Its IUPAC name is 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
PubChem CID109415517
Molecular FormulaC25H32N4O
Molecular Weight404.56 g/mol
Exact Mass404.26
IUPAC Name4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCc1ccc(N2CCOCC2)cc1)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C25H32N4O/c1-26-25(29-13-11-22(12-14-29)19-21-5-3-2-4-6-21)27-20-23-7-9-24(10-8-23)28-15-17-30-18-16-28/h2-10,19H,11-18,20H2,1H3,(H,26,27)
InChIKeyIMGYDQNUDAWBQR-UHFFFAOYSA-N
XLogP3.78
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.56
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-[[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-N-methylbenzamide;hydroiodide
CID 109414541
4-benzylidene-N-[(3-fluoro-4-hydroxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109414828
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514
4-benzylidene-N-[[4-(cyclopropylsulfamoyl)phenyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414242
4-benzylidene-N-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
N',3,3-trimethyl-N-[(4-morpholin-4-ylphenyl)methyl]pyrrolidine-1-carboximidamide
CID 111739118
4-benzylidene-N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414893
4-(furan-2-carbonyl)-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperazine-1-carboximidamide
CID 111168898
4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109415458
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
methyl 1-[N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]carbamimidoyl]piperidine-4-carboxylate
CID 111254357
4-benzylidene-N'-methyl-N-[[3-(1H-1,2,4-triazol-5-yl)phenyl]methyl]piperidine-1-carboximidamide
CID 109415152

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide (CID 109415517) is 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is C/N=C(\NCc1ccc(N2CCOCC2)cc1)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
The InChIKey is IMGYDQNUDAWBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O/c1-26-25(29-13-11-22(12-14-29)19-21-5-3-2-4-6-21)27-20-23-7-9-24(10-8-23)28-15-17-30-18-16-28/h2-10,19H,11-18,20H2,1H3,(H,26,27).
What are the key properties of 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide?
4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide has a molecular weight of 404.56 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109415517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).