N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide

C19H31IN4O3 — CID 111960878

IUPACN-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(OC)c(NC(C)=O)c2)CC1.I
InChIInChI=1S/C19H30N4O3.HI/c1-5-26-16-8-10-23(11-9-16)19(20-3)21-13-15-6-7-18(25-4)17(12-15)22-14(2)24;/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,20,21)(H,22,24);1H
InChIKeyAURQKQSRDYDWIC-UHFFFAOYSA-N
MW490.39 g/mol
LogP2.85
Rot. Bonds6

About N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide

N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide (PubChem CID 111960878) has the molecular formula C19H31IN4O3 and a molecular weight of 490.39 g/mol. Its IUPAC name is N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide.

Molecular Properties

Compound NameN-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
PubChem CID111960878
Molecular FormulaC19H31IN4O3
Molecular Weight490.39 g/mol
Exact Mass490.14
IUPAC NameN-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide
SMILESCCOC1CCN(/C(=N\C)NCc2ccc(OC)c(NC(C)=O)c2)CC1.I
InChIInChI=1S/C19H30N4O3.HI/c1-5-26-16-8-10-23(11-9-16)19(20-3)21-13-15-6-7-18(25-4)17(12-15)22-14(2)24;/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,20,21)(H,22,24);1H
InChIKeyAURQKQSRDYDWIC-UHFFFAOYSA-N
XLogP2.85
TPSA75.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.39
LogP ≤ 52.85
H-Bond Donors ≤ 52
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-ethoxy-N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958268
N-[(4-cyclopentyloxy-3-methoxyphenyl)methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide
CID 111959667
4-ethoxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958532
4-ethoxy-N-[(6-methoxynaphthalen-2-yl)methyl]-N'-methylpiperidine-1-carboximidamide
CID 111960731
2-[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide;hydroiodide
CID 111959622
ethyl 1-[N-[(3,4-dimethoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111157654
N-[[4-(diethylaminomethyl)phenyl]methyl]-4-ethoxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 111958580
4-ethoxy-N'-methyl-N-[(4-sulfamoylphenyl)methyl]piperidine-1-carboximidamide
CID 111959721
4-ethoxy-N'-methyl-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]piperidine-1-carboximidamide
CID 111960271
4-ethoxy-N'-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]piperidine-1-carboximidamide
CID 111959821
ethyl 4-[N-[(3-fluoro-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111163596
N-[2-methoxy-5-[[[N'-methyl-N-(4-methylcyclohexyl)carbamimidoyl]amino]methyl]phenyl]acetamide;hydroiodide
CID 111255548

Frequently Asked Questions

What is the IUPAC name of N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The IUPAC name of N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide (CID 111960878) is N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide.
What is the SMILES notation for N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The canonical SMILES for N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide is CCOC1CCN(/C(=N\C)NCc2ccc(OC)c(NC(C)=O)c2)CC1.I.
What is the InChIKey of N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
The InChIKey is AURQKQSRDYDWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.HI/c1-5-26-16-8-10-23(11-9-16)19(20-3)21-13-15-6-7-18(25-4)17(12-15)22-14(2)24;/h6-7,12,16H,5,8-11,13H2,1-4H3,(H,20,21)(H,22,24);1H.
What are the key properties of N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide?
N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide has a molecular weight of 490.39 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[[C-(4-ethoxypiperidin-1-yl)-N-methylcarbonimidoyl]amino]methyl]-2-methoxyphenyl]acetamide;hydroiodide is sourced from PubChem (CID 111960878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).