N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide

C21H24N3O3+ — CID 9223591

IUPACN-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-16(25)17-7-9-19(10-8-17)22-20(26)15-23-11-13-24(14-12-23)21(27)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,22,26)/p+1
InChIKeyVEGGZFSLANSDNZ-UHFFFAOYSA-O
MW366.44 g/mol
LogP0.87
Rot. Bonds5

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

N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide (PubChem CID 9223591) has the molecular formula C21H24N3O3+ and a molecular weight of 366.44 g/mol. Its IUPAC name is N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
PubChem CID9223591
Molecular FormulaC21H24N3O3+
Molecular Weight366.44 g/mol
Exact Mass366.18
IUPAC NameN-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide
SMILESCC(=O)c1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1
InChIInChI=1S/C21H23N3O3/c1-16(25)17-7-9-19(10-8-17)22-20(26)15-23-11-13-24(14-12-23)21(27)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,22,26)/p+1
InChIKeyVEGGZFSLANSDNZ-UHFFFAOYSA-O
XLogP0.87
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzoylpiperazin-1-ium-1-yl)-N-(4-chlorophenyl)acetamide
CID 9223569
2-(4-acetylpiperazin-1-ium-1-yl)-N-phenylacetamide
CID 8904289
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
2-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-N-(4-fluorophenyl)acetamide
CID 9223309
2-(4-benzoylpiperazin-1-ium-1-yl)-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]acetamide
CID 9223114
N-(4-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide
CID 7436916
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4-dimethylphenyl)acetamide
CID 9223547
methyl 3-[[2-(4-benzoylpiperazin-1-ium-1-yl)acetyl]amino]-4-methylbenzoate
CID 9223118
2-(4-benzoylpiperazin-1-ium-1-yl)-N-[(2S)-butan-2-yl]acetamide
CID 9223695
N-(4-acetamidophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide
CID 8932752
2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8597441
2-(4-acetylpiperazin-1-ium-1-yl)-N-(4-tert-butylphenyl)acetamide
CID 8904245

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide?
The IUPAC name of N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide (CID 9223591) is N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide.
What is the SMILES notation for N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide?
The canonical SMILES for N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide is CC(=O)c1ccc(NC(=O)C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide?
The InChIKey is VEGGZFSLANSDNZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H23N3O3/c1-16(25)17-7-9-19(10-8-17)22-20(26)15-23-11-13-24(14-12-23)21(27)18-5-3-2-4-6-18/h2-10H,11-15H2,1H3,(H,22,26)/p+1.
What are the key properties of N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide?
N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide has a molecular weight of 366.44 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-2-(4-benzoylpiperazin-1-ium-1-yl)acetamide is sourced from PubChem (CID 9223591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).