4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide

C22H34N4O — CID 109414417

IUPAC4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCOCC1C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-18(26-13-14-27-17-19(26)2)16-24-22(23-3)25-11-9-21(10-12-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24)
InChIKeyMLSJXKKNXVIDQI-UHFFFAOYSA-N
MW370.54 g/mol
LogP2.85
Rot. Bonds4

About 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide

4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide (PubChem CID 109414417) has the molecular formula C22H34N4O and a molecular weight of 370.54 g/mol. Its IUPAC name is 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide.

Molecular Properties

Compound Name4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
PubChem CID109414417
Molecular FormulaC22H34N4O
Molecular Weight370.54 g/mol
Exact Mass370.27
IUPAC Name4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide
SMILESC/N=C(\NCC(C)N1CCOCC1C)N1CCC(=Cc2ccccc2)CC1
InChIInChI=1S/C22H34N4O/c1-18(26-13-14-27-17-19(26)2)16-24-22(23-3)25-11-9-21(10-12-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24)
InChIKeyMLSJXKKNXVIDQI-UHFFFAOYSA-N
XLogP2.85
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.54
LogP ≤ 52.85
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-(2,2-difluoroethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414843
4-(2,5-difluorophenyl)-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperazine-1-carboximidamide;hydroiodide
CID 109450574
4-benzylidene-N'-methyl-N-[(4-morpholin-4-ylphenyl)methyl]piperidine-1-carboximidamide
CID 109415517
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(4-phenylbutan-2-yl)guanidine
CID 111835425
2-ethyl-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]thiomorpholine-4-carboximidamide
CID 109486720
4-benzylidene-N-ethyl-N'-(2-morpholin-4-ylpropyl)piperidine-1-carboximidamide
CID 109414390
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-[(2-phenyl-1,3-oxazol-4-yl)methyl]guanidine
CID 111981211
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
4-benzylidene-N'-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 109415055
2-methyl-1-[2-(3-methylmorpholin-4-yl)propyl]-3-(thiophen-2-ylmethyl)guanidine
CID 111837181
4-benzylidene-N-(furan-2-ylmethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414514
3-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-propan-2-ylpropanamide;hydroiodide
CID 109414472

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?
The IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide (CID 109414417) is 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide.
What is the SMILES notation for 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?
The canonical SMILES for 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide is C/N=C(\NCC(C)N1CCOCC1C)N1CCC(=Cc2ccccc2)CC1.
What is the InChIKey of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?
The InChIKey is MLSJXKKNXVIDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O/c1-18(26-13-14-27-17-19(26)2)16-24-22(23-3)25-11-9-21(10-12-25)15-20-7-5-4-6-8-20/h4-8,15,18-19H,9-14,16-17H2,1-3H3,(H,23,24).
What are the key properties of 4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide?
4-benzylidene-N'-methyl-N-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide has a molecular weight of 370.54 g/mol, XLogP of 2.85, 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-[2-(3-methylmorpholin-4-yl)propyl]piperidine-1-carboximidamide is sourced from PubChem (CID 109414417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).