4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide

C20H30N4O — CID 111959403

IUPAC4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C20H30N4O/c1-3-25-18-10-15-24(16-11-18)20(21-2)22-12-6-13-23-14-9-17-7-4-5-8-19(17)23/h4-5,7-9,14,18H,3,6,10-13,15-16H2,1-2H3,(H,21,22)
InChIKeyQFXARMZTTPRDPL-UHFFFAOYSA-N
MW342.49 g/mol
LogP3.11
Rot. Bonds6

About 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide

4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide (PubChem CID 111959403) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
PubChem CID111959403
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide
SMILESCCOC1CCN(/C(=N\C)NCCCn2ccc3ccccc32)CC1
InChIInChI=1S/C20H30N4O/c1-3-25-18-10-15-24(16-11-18)20(21-2)22-12-6-13-23-14-9-17-7-4-5-8-19(17)23/h4-5,7-9,14,18H,3,6,10-13,15-16H2,1-2H3,(H,21,22)
InChIKeyQFXARMZTTPRDPL-UHFFFAOYSA-N
XLogP3.11
TPSA41.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

4-ethoxy-N-ethyl-N'-(3-indol-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111958122
N-(3-indol-1-ylpropyl)-N'-methylpyrrolidine-1-carboximidamide
CID 110933615
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959165
N-[3-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]propyl]benzamide
CID 111958471
N-(3,3-diphenylpropyl)-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958668
N-[2-(2,6-dichlorophenyl)ethyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960837
4-ethoxy-N'-methyl-N-(2-phenoxyethyl)piperidine-1-carboximidamide;hydroiodide
CID 111958946
1-[3-(dimethylamino)propyl]-3-(3-indol-1-ylpropyl)-2-methylguanidine
CID 111341203
4-ethoxy-N-[3-[(4-methoxyphenyl)methoxy]propyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111959684
4-ethoxy-N'-methyl-N-[2-(quinolin-2-ylamino)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959216
N-[3-(4-chlorophenyl)propyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111960653
1-(3-indol-1-ylpropyl)-2-methyl-3-propylguanidine;hydroiodide
CID 111226439

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide?
The IUPAC name of 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide (CID 111959403) is 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide.
What is the SMILES notation for 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide?
The canonical SMILES for 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide is CCOC1CCN(/C(=N\C)NCCCn2ccc3ccccc32)CC1.
What is the InChIKey of 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide?
The InChIKey is QFXARMZTTPRDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-3-25-18-10-15-24(16-11-18)20(21-2)22-12-6-13-23-14-9-17-7-4-5-8-19(17)23/h4-5,7-9,14,18H,3,6,10-13,15-16H2,1-2H3,(H,21,22).
What are the key properties of 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide?
4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide has a molecular weight of 342.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-indol-1-ylpropyl)-N'-methylpiperidine-1-carboximidamide is sourced from PubChem (CID 111959403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).