N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide

C17H27IN4O2 — CID 122156420

IUPACN-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(C)C(C)(C)C2)cc1.I
InChIInChI=1S/C17H26N4O2.HI/c1-13(22)18-14-5-7-15(8-6-14)19-16(23)11-21-10-9-20(4)17(2,3)12-21;/h5-8H,9-12H2,1-4H3,(H,18,22)(H,19,23);1H
InChIKeySLHRYISLCHUPGZ-UHFFFAOYSA-N
MW446.33 g/mol
LogP2.23
Rot. Bonds4

About N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide

N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide (PubChem CID 122156420) has the molecular formula C17H27IN4O2 and a molecular weight of 446.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide
PubChem CID122156420
Molecular FormulaC17H27IN4O2
Molecular Weight446.33 g/mol
Exact Mass446.12
IUPAC NameN-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide
SMILESCC(=O)Nc1ccc(NC(=O)CN2CCN(C)C(C)(C)C2)cc1.I
InChIInChI=1S/C17H26N4O2.HI/c1-13(22)18-14-5-7-15(8-6-14)19-16(23)11-21-10-9-20(4)17(2,3)12-21;/h5-8H,9-12H2,1-4H3,(H,18,22)(H,19,23);1H
InChIKeySLHRYISLCHUPGZ-UHFFFAOYSA-N
XLogP2.23
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-4-chlorophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63605035
N-(3-cyanophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide
CID 63609880
N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 103728385
2-[4-[2-(4-acetamidoanilino)-2-oxoethyl]-3-methylpiperazin-1-yl]-N-(4-acetamidophenyl)acetamide
CID 55627394
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
N-(3-acetamidophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 45366461
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(4-bromophenyl)acetamide
CID 120773075
N-(4-methylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196968
N-(4-acetylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196979
N-(4-acetamidophenyl)-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide
CID 2685330
N-(4-ethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196973

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide?
The IUPAC name of N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide (CID 122156420) is N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide is CC(=O)Nc1ccc(NC(=O)CN2CCN(C)C(C)(C)C2)cc1.I.
What is the InChIKey of N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide?
The InChIKey is SLHRYISLCHUPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2.HI/c1-13(22)18-14-5-7-15(8-6-14)19-16(23)11-21-10-9-20(4)17(2,3)12-21;/h5-8H,9-12H2,1-4H3,(H,18,22)(H,19,23);1H.
What are the key properties of N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide?
N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide has a molecular weight of 446.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(3,3,4-trimethylpiperazin-1-yl)acetamide;hydroiodide is sourced from PubChem (CID 122156420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).