2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide

C21H26N3O2+ — CID 7991243

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(25)24-14-12-23(13-15-24)16-20(26)22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-16H2,1H3,(H,22,26)/p+1
InChIKeyYDVBIBMLAQHFHT-UHFFFAOYSA-O
MW352.46 g/mol
LogP0.64
Rot. Bonds5

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide (PubChem CID 7991243) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
PubChem CID7991243
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide
SMILESCC(=O)N1CC[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H25N3O2/c1-17(25)24-14-12-23(13-15-24)16-20(26)22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-16H2,1H3,(H,22,26)/p+1
InChIKeyYDVBIBMLAQHFHT-UHFFFAOYSA-O
XLogP0.64
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide 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-(benzenesulfonyl)piperazin-1-ium-1-yl]-N-benzhydrylacetamide
CID 2122058
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
N-benzhydryl-2-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2507952
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-benzylsulfanylphenyl)acetamide
CID 9033852
N-benzhydryl-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)acetamide
CID 2655781
2-(4-acetylpiperazin-1-ium-1-yl)-N-(2-fluorophenyl)acetamide
CID 8904357
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
2-[4-(2-chlorophenyl)sulfonylpiperazin-1-ium-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9391491
2-(4-acetylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-ethylphenyl)-2-methylpropyl]acetamide
CID 9276356
2-(4-acetylpiperazin-1-ium-1-yl)-N-(3-phenylsulfanylpropyl)acetamide
CID 9276329
N-benzhydryl-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 7406184
(2S)-2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-ethylpropanamide
CID 8597347

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide (CID 7991243) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide is CC(=O)N1CC[NH+](CC(=O)NC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide?
The InChIKey is YDVBIBMLAQHFHT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-17(25)24-14-12-23(13-15-24)16-20(26)22-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-11,21H,12-16H2,1H3,(H,22,26)/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide has a molecular weight of 352.46 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzhydrylacetamide is sourced from PubChem (CID 7991243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).