2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide

C15H22N4O2 — CID 16788488

IUPAC2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(N)ccc2C)CC1
InChIInChI=1S/C15H22N4O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,21)
InChIKeyABGTXZUFAYEBDB-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.68
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide

2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide (PubChem CID 16788488) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
PubChem CID16788488
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide
SMILESCC(=O)N1CCN(CC(=O)Nc2cc(N)ccc2C)CC1
InChIInChI=1S/C15H22N4O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,21)
InChIKeyABGTXZUFAYEBDB-UHFFFAOYSA-N
XLogP0.68
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-amino-2-methylphenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61439794
N-(5-amino-2-methylphenyl)-2-(3,4-dimethylpyrrolidin-1-yl)acetamide
CID 79189234
2-(4-acetylpiperazin-1-yl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]acetamide
CID 8904414
N-(5-amino-2-methylphenyl)-2-[3-(2-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 114797132
N-(2,5-dimethylphenyl)-2-pyrrolidin-1-ylacetamide
CID 8901854
2-(4-acetylpiperazin-1-yl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylacetamide
CID 9033807
2-(4-acetylpiperazin-1-yl)-N-(4-methylphenyl)acetamide
CID 2697560
2-(4-acetylpiperazin-1-yl)-N-(4-bromo-2-chlorophenyl)acetamide
CID 24564935
N-(5-chloro-2-methylphenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 18086171
N-(2,5-dimethylphenyl)-2-(4-propylpiperazin-1-yl)acetamide
CID 22196969
N-(5-amino-2-methylphenyl)-3-(4-methyl-3-oxopiperazin-1-yl)propanamide
CID 64681109
N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide (CID 16788488) is 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide is CC(=O)N1CCN(CC(=O)Nc2cc(N)ccc2C)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide?
The InChIKey is ABGTXZUFAYEBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-3-4-13(16)9-14(11)17-15(21)10-18-5-7-19(8-6-18)12(2)20/h3-4,9H,5-8,10,16H2,1-2H3,(H,17,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide?
2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide has a molecular weight of 290.37 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-N-(5-amino-2-methylphenyl)acetamide is sourced from PubChem (CID 16788488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).