2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide

C21H26N3O2+ — CID 9223547

IUPAC2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-9-19(17(2)14-16)22-20(25)15-23-10-12-24(13-11-23)21(26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1
InChIKeyQRJCIXDJSXUWCA-UHFFFAOYSA-O
MW352.46 g/mol
LogP1.28
Rot. Bonds4

About 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide (PubChem CID 9223547) has the molecular formula C21H26N3O2+ and a molecular weight of 352.46 g/mol. Its IUPAC name is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
PubChem CID9223547
Molecular FormulaC21H26N3O2+
Molecular Weight352.46 g/mol
Exact Mass352.20
IUPAC Name2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C21H25N3O2/c1-16-8-9-19(17(2)14-16)22-20(25)15-23-10-12-24(13-11-23)21(26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1
InChIKeyQRJCIXDJSXUWCA-UHFFFAOYSA-O
XLogP1.28
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 4-[2-(2,4-dimethylanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2654232
methyl 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylbenzoate
CID 9223118
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethoxyphenyl)acetamide
CID 9223633
N-(2,4-dimethylphenyl)-2-piperazine-1,4-diium-1-ylacetamide
CID 2409066
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
CID 9223591
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-[4-(3,4-dimethylbenzoyl)piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022256
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(5-chloro-2-nitrophenyl)acetamide
CID 9223655
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9223114
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(1S)-1-(4-methylphenyl)propyl]acetamide
CID 9223397
N-(2,4-dimethylphenyl)-2-[4-(4-nitrophenyl)piperazin-1-ium-1-yl]acetamide
CID 8590909
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide (CID 9223547) is 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is QRJCIXDJSXUWCA-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25N3O2/c1-16-8-9-19(17(2)14-16)22-20(25)15-23-10-12-24(13-11-23)21(26)18-6-4-3-5-7-18/h3-9,14H,10-13,15H2,1-2H3,(H,22,25)/p+1.
What are the key properties of 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide?
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 352.46 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 9223547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).