N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

C23H30IN5O — CID 111290264

IUPACN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CCN(c2cccc(OC)c2)CC1.I
InChIInChI=1S/C23H29N5O.HI/c1-24-23(25-11-10-18-17-26-22-9-4-3-8-21(18)22)28-14-12-27(13-15-28)19-6-5-7-20(16-19)29-2;/h3-9,16-17,26H,10-15H2,1-2H3,(H,24,25);1H
InChIKeyWLGPLXFMNJHPOO-UHFFFAOYSA-N
MW519.43 g/mol
LogP3.73
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide

N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (PubChem CID 111290264) has the molecular formula C23H30IN5O and a molecular weight of 519.43 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
PubChem CID111290264
Molecular FormulaC23H30IN5O
Molecular Weight519.43 g/mol
Exact Mass519.15
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCc1c[nH]c2ccccc12)N1CCN(c2cccc(OC)c2)CC1.I
InChIInChI=1S/C23H29N5O.HI/c1-24-23(25-11-10-18-17-26-22-9-4-3-8-21(18)22)28-14-12-27(13-15-28)19-6-5-7-20(16-19)29-2;/h3-9,16-17,26H,10-15H2,1-2H3,(H,24,25);1H
InChIKeyWLGPLXFMNJHPOO-UHFFFAOYSA-N
XLogP3.73
TPSA55.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500519.43
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

N-[2-(1H-indol-3-yl)ethyl]-N'-methyl-4-pyrimidin-2-ylpiperazine-1-carboximidamide;hydroiodide
CID 111205635
N-[2-(1H-indol-3-yl)ethyl]-4-(4-methoxyphenyl)piperazine-1-carboxamide
CID 108989627
N-ethyl-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290436
N-[2-(1H-indol-3-yl)ethyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153494
N-(5-methoxypentyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide
CID 111290233
N-(1H-indol-2-ylmethyl)-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111290422
N-[2-(1H-indol-3-yl)ethyl]-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108531709
4-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]-N'-methylpiperazine-1-carboximidamide
CID 111290635
1-[2-(1H-indol-3-yl)ethyl]-3-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 110996667
N-[3-(1H-indol-3-yl)propyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427030
N-[[4-(methoxymethyl)phenyl]methyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111289968
3-methoxy-N-[2-[[C-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylcarbonimidoyl]amino]ethyl]benzamide
CID 111290999

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide (CID 111290264) is N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is C/N=C(/NCCc1c[nH]c2ccccc12)N1CCN(c2cccc(OC)c2)CC1.I.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
The InChIKey is WLGPLXFMNJHPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O.HI/c1-24-23(25-11-10-18-17-26-22-9-4-3-8-21(18)22)28-14-12-27(13-15-28)19-6-5-7-20(16-19)29-2;/h3-9,16-17,26H,10-15H2,1-2H3,(H,24,25);1H.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide?
N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide has a molecular weight of 519.43 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-4-(3-methoxyphenyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111290264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).