4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide

C17H28IN5O3 — CID 111959186

IUPAC4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCNc2ccc([N+](=O)[O-])cc2)CC1.I
InChIInChI=1S/C17H27N5O3.HI/c1-3-25-16-8-12-21(13-9-16)17(18-2)20-11-10-19-14-4-6-15(7-5-14)22(23)24;/h4-7,16,19H,3,8-13H2,1-2H3,(H,18,20);1H
InChIKeyNSCOXQXDTFEFHX-UHFFFAOYSA-N
MW477.35 g/mol
LogP2.70
Rot. Bonds7

About 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111959186) has the molecular formula C17H28IN5O3 and a molecular weight of 477.35 g/mol. Its IUPAC name is 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111959186
Molecular FormulaC17H28IN5O3
Molecular Weight477.35 g/mol
Exact Mass477.12
IUPAC Name4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCCNc2ccc([N+](=O)[O-])cc2)CC1.I
InChIInChI=1S/C17H27N5O3.HI/c1-3-25-16-8-12-21(13-9-16)17(18-2)20-11-10-19-14-4-6-15(7-5-14)22(23)24;/h4-7,16,19H,3,8-13H2,1-2H3,(H,18,20);1H
InChIKeyNSCOXQXDTFEFHX-UHFFFAOYSA-N
XLogP2.70
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.35
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-N-ethyl-N'-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959032
N',4-dimethyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide
CID 111212161
N'-methyl-N-[2-(4-nitroanilino)ethyl]-4-phenoxypiperidine-1-carboximidamide
CID 109427425
N'-methyl-N-[2-(4-nitroanilino)ethyl]-3-phenylpyrrolidine-1-carboximidamide;hydroiodide
CID 111722692
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111959822
4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959216
N-[2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]ethyl]-4-(trifluoromethyl)benzamide
CID 111958945
4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958290
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
2-methyl-1-[2-(4-nitroanilino)ethyl]-3-(1-propylpiperidin-4-yl)guanidine
CID 111019259
4-ethoxy-N-[2-[(3-fluoro-4-methylphenyl)sulfamoyl]ethyl]-N'-methylpiperidine-1-carboximidamide
CID 111958291

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111959186) is 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide is CCOC1CCN(/C(=N\C)NCCNc2ccc([N+](=O)[O-])cc2)CC1.I.
What is the InChIKey of 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is NSCOXQXDTFEFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3.HI/c1-3-25-16-8-12-21(13-9-16)17(18-2)20-11-10-19-14-4-6-15(7-5-14)22(23)24;/h4-7,16,19H,3,8-13H2,1-2H3,(H,18,20);1H.
What are the key properties of 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 477.35 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N'-methyl-N-[2-(4-nitroanilino)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111959186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).