2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide

C20H24N3O2+ — CID 6930719

IUPAC2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)17-7-9-19(10-8-17)23-13-11-22(12-14-23)15-20(25)21-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25)/p+1
InChIKeyHIGFVARZAYOJPG-UHFFFAOYSA-O
MW338.43 g/mol
LogP1.23
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide (PubChem CID 6930719) has the molecular formula C20H24N3O2+ and a molecular weight of 338.43 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
PubChem CID6930719
Molecular FormulaC20H24N3O2+
Molecular Weight338.43 g/mol
Exact Mass338.19
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1
InChIInChI=1S/C20H23N3O2/c1-16(24)17-7-9-19(10-8-17)23-13-11-22(12-14-23)15-20(25)21-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25)/p+1
InChIKeyHIGFVARZAYOJPG-UHFFFAOYSA-O
XLogP1.23
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide 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

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 8005789
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2656205
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-phenylethyl)acetamide
CID 8591746
2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 8590885
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 7243136
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-3-oxo-1-phenylbutan-2-yl]acetamide
CID 8591554
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2656293
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide
CID 8591644
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide (CID 6930719) is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide is CC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide?
The InChIKey is HIGFVARZAYOJPG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H23N3O2/c1-16(24)17-7-9-19(10-8-17)23-13-11-22(12-14-23)15-20(25)21-18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,21,25)/p+1.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide?
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide has a molecular weight of 338.43 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide is sourced from PubChem (CID 6930719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).