2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide

C22H28N3O2+ — CID 9205532

IUPAC2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)N(Cc2ccccc2)c2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-18-7-6-10-21(15-18)25(16-20-8-4-3-5-9-20)22(27)17-23-11-13-24(14-12-23)19(2)26/h3-10,15H,11-14,16-17H2,1-2H3/p+1
InChIKeyDADOSGVZTOCGNG-UHFFFAOYSA-O
MW366.49 g/mol
LogP1.28
Rot. Bonds5

About 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide

2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide (PubChem CID 9205532) has the molecular formula C22H28N3O2+ and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide
PubChem CID9205532
Molecular FormulaC22H28N3O2+
Molecular Weight366.49 g/mol
Exact Mass366.22
IUPAC Name2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide
SMILESCC(=O)N1CC[NH+](CC(=O)N(Cc2ccccc2)c2cccc(C)c2)CC1
InChIInChI=1S/C22H27N3O2/c1-18-7-6-10-21(15-18)25(16-20-8-4-3-5-9-20)22(27)17-23-11-13-24(14-12-23)19(2)26/h3-10,15H,11-14,16-17H2,1-2H3/p+1
InChIKeyDADOSGVZTOCGNG-UHFFFAOYSA-O
XLogP1.28
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-benzyl-N-(3-methylphenyl)acetamide
CID 40663508
N-benzyl-N-methyl-2-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]acetamide
CID 6600908
2-(4-acetylpiperazin-1-yl)-N-benzyl-2-oxo-N-phenylacetamide
CID 108508402
3-[benzyl(ethyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109023151
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylbenzamide
CID 42859271
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-[(3-methylphenyl)methyl]propanamide
CID 46046855
N-benzyl-2-(3-methylphenoxy)-N-phenylacetamide
CID 112977258
(4-fluorophenyl)methyl-(3-methylphenyl)carbamic acid
CID 90875734
N-(2-aminoethyl)-N-(3-methylphenyl)-2-phenylacetamide
CID 28768817
N-[3-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-N-benzylcyclopropanecarboxamide
CID 46056527
1-acetyl-N-benzyl-N-(3-methylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 52561459
N-[4-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]phenyl]-2-methoxy-N-[(3-methylphenyl)methyl]acetamide
CID 46046882

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide (CID 9205532) is 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide is CC(=O)N1CC[NH+](CC(=O)N(Cc2ccccc2)c2cccc(C)c2)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide?
The InChIKey is DADOSGVZTOCGNG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H27N3O2/c1-18-7-6-10-21(15-18)25(16-20-8-4-3-5-9-20)22(27)17-23-11-13-24(14-12-23)19(2)26/h3-10,15H,11-14,16-17H2,1-2H3/p+1.
What are the key properties of 2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide?
2-(4-acetylpiperazin-1-ium-1-yl)-N-benzyl-N-(3-methylphenyl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 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-benzyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 9205532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).