4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

C21H33IN4O — CID 111960334

IUPAC4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1c[nH]c2cccc(C)c12)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-4-22-21(25-13-10-18(11-14-25)26-5-2)23-12-9-17-15-24-19-8-6-7-16(3)20(17)19;/h6-8,15,18,24H,4-5,9-14H2,1-3H3,(H,22,23);1H
InChIKeyKXQKOLYFBSKWHF-UHFFFAOYSA-N
MW484.43 g/mol
LogP4.10
Rot. Bonds6

About 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide

4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111960334) has the molecular formula C21H33IN4O and a molecular weight of 484.43 g/mol. Its IUPAC name is 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound Name4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111960334
Molecular FormulaC21H33IN4O
Molecular Weight484.43 g/mol
Exact Mass484.17
IUPAC Name4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN/C(=N\CCc1c[nH]c2cccc(C)c12)N1CCC(OCC)CC1.I
InChIInChI=1S/C21H32N4O.HI/c1-4-22-21(25-13-10-18(11-14-25)26-5-2)23-12-9-17-15-24-19-8-6-7-16(3)20(17)19;/h6-8,15,18,24H,4-5,9-14H2,1-3H3,(H,22,23);1H
InChIKeyKXQKOLYFBSKWHF-UHFFFAOYSA-N
XLogP4.10
TPSA52.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.43
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

Analyze 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-ethoxy-N-ethyl-N'-[2-(1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111958119
N'-[3-(2,6-dimethylphenoxy)propyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111958420
N'-[2-(3-chlorophenyl)ethyl]-4-ethoxy-N-ethylpiperidine-1-carboximidamide;hydroiodide
CID 111959364
4-ethoxy-N-ethyl-N'-[2-(furan-2-yl)ethyl]piperidine-1-carboximidamide
CID 111958661
N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109435217
4-ethoxy-N-ethyl-N'-(2-pyridin-3-ylethyl)piperidine-1-carboximidamide;hydroiodide
CID 111959018
4-ethoxy-N-ethyl-N'-[2-methyl-2-(2-methylphenyl)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111960236
4-ethoxy-N-ethyl-N'-[2-(3-methoxyphenoxy)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111959158
N-ethyl-N'-[2-(6-methyl-1H-indol-3-yl)ethyl]-4-(oxan-2-ylmethoxy)piperidine-1-carboximidamide
CID 109450335
4-ethoxy-N-ethyl-N'-(3-phenylbutyl)piperidine-1-carboximidamide;hydroiodide
CID 111958824
4-ethoxy-N-ethyl-N'-[4-(2-methyl-6-oxo-1-pyridinyl)butyl]piperidine-1-carboximidamide;hydroiodide
CID 111960894
4-ethoxy-N-ethyl-N'-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111960888

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide (CID 111960334) is 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is CCN/C(=N\CCc1c[nH]c2cccc(C)c12)N1CCC(OCC)CC1.I.
What is the InChIKey of 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is KXQKOLYFBSKWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O.HI/c1-4-22-21(25-13-10-18(11-14-25)26-5-2)23-12-9-17-15-24-19-8-6-7-16(3)20(17)19;/h6-8,15,18,24H,4-5,9-14H2,1-3H3,(H,22,23);1H.
What are the key properties of 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide?
4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 484.43 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-ethyl-N'-[2-(4-methyl-1H-indol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111960334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).