4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C19H26IN5O — CID 109415045

IUPAC4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1nc(C)no1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C19H25N5O.HI/c1-15-22-18(25-23-15)8-11-21-19(20-2)24-12-9-17(10-13-24)14-16-6-4-3-5-7-16;/h3-7,14H,8-13H2,1-2H3,(H,20,21);1H
InChIKeyCVHUJHHOTBALTK-UHFFFAOYSA-N
MW467.36 g/mol
LogP3.29
Rot. Bonds4

About 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 109415045) has the molecular formula C19H26IN5O and a molecular weight of 467.36 g/mol. Its IUPAC name is 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID109415045
Molecular FormulaC19H26IN5O
Molecular Weight467.36 g/mol
Exact Mass467.12
IUPAC Name4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESC/N=C(\NCCc1nc(C)no1)N1CCC(=Cc2ccccc2)CC1.I
InChIInChI=1S/C19H25N5O.HI/c1-15-22-18(25-23-15)8-11-21-19(20-2)24-12-9-17(10-13-24)14-16-6-4-3-5-7-16;/h3-7,14H,8-13H2,1-2H3,(H,20,21);1H
InChIKeyCVHUJHHOTBALTK-UHFFFAOYSA-N
XLogP3.29
TPSA66.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.36
LogP ≤ 53.29
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-benzylidene-N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109415597
N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(3-phenylprop-2-enyl)piperazine-1-carboximidamide
CID 111218597
4-benzyl-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carboximidamide
CID 110959923
4-benzylidene-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-N'-methylpiperidine-1-carboximidamide
CID 109414401
4-benzylidene-N-[2-(6-chloro-3-pyridinyl)ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109414663
4-benzylidene-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 109415458
4-benzylidene-N-(2-ethoxyethyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415315
4-benzylidene-N-(3-methoxypropyl)-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 109415037
4-benzylidene-N'-methyl-N-[2-(4-methylsulfonylphenyl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 109414678
N-[2-[[C-(4-benzylidenepiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 109414731
4-benzylidene-N-(2-ethylsulfonylethyl)-N'-methylpiperidine-1-carboximidamide
CID 109414255
4-benzylidene-N-[2-(2-hydroxy-4-methoxyphenyl)ethyl]-N'-methylpiperidine-1-carboximidamide
CID 109415306

Frequently Asked Questions

What is the IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 109415045) is 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is C/N=C(\NCCc1nc(C)no1)N1CCC(=Cc2ccccc2)CC1.I.
What is the InChIKey of 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CVHUJHHOTBALTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O.HI/c1-15-22-18(25-23-15)8-11-21-19(20-2)24-12-9-17(10-13-24)14-16-6-4-3-5-7-16;/h3-7,14H,8-13H2,1-2H3,(H,20,21);1H.
What are the key properties of 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 467.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylidene-N'-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 109415045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).