4-(4-acetylphenyl)-3-methylpiperazin-2-one

C13H16N2O2 — CID 55216694

IUPAC4-(4-acetylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCNC(=O)C2C)cc1
InChIInChI=1S/C13H16N2O2/c1-9-13(17)14-7-8-15(9)12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChIKeyZEPXKCYTBHFJEI-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.21
Rot. Bonds2

About 4-(4-acetylphenyl)-3-methylpiperazin-2-one

4-(4-acetylphenyl)-3-methylpiperazin-2-one (PubChem CID 55216694) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(4-acetylphenyl)-3-methylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-acetylphenyl)-3-methylpiperazin-2-one
PubChem CID55216694
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(4-acetylphenyl)-3-methylpiperazin-2-one
SMILESCC(=O)c1ccc(N2CCNC(=O)C2C)cc1
InChIInChI=1S/C13H16N2O2/c1-9-13(17)14-7-8-15(9)12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,17)
InChIKeyZEPXKCYTBHFJEI-UHFFFAOYSA-N
XLogP1.21
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(6-acetyl-3-pyridinyl)-3-methylpiperazin-2-one
CID 83118479
4-[4-[(1R)-1-hydroxyethyl]phenyl]-3-methylpiperazin-2-one
CID 55216894
3-[4-(2-methyl-3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid
CID 77000657
4-[4-(1-hydroxypropyl)phenyl]-3-methylpiperazin-2-one
CID 114066855
2-chloro-4-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 114064213
4-(2-acetyl-4-bromophenyl)-3-methylpiperazin-2-one
CID 82966818
3,5-difluoro-4-(2-methyl-3-oxopiperazin-1-yl)benzoic acid
CID 63607838
4-(2-methyl-3-oxopiperazin-1-yl)-3-nitrobenzoic acid
CID 63607146
4-(4-acetyl-2-fluorophenyl)-3-ethylpiperazin-2-one
CID 55216726
1-[4-(2-methylpiperidin-1-yl)phenyl]ethanone
CID 43176941
1-[4-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]phenyl]ethanone
CID 102781685
4-acetyl-3-methylpiperazin-2-one
CID 13190467

Frequently Asked Questions

What is the IUPAC name of 4-(4-acetylphenyl)-3-methylpiperazin-2-one?
The IUPAC name of 4-(4-acetylphenyl)-3-methylpiperazin-2-one (CID 55216694) is 4-(4-acetylphenyl)-3-methylpiperazin-2-one.
What is the SMILES notation for 4-(4-acetylphenyl)-3-methylpiperazin-2-one?
The canonical SMILES for 4-(4-acetylphenyl)-3-methylpiperazin-2-one is CC(=O)c1ccc(N2CCNC(=O)C2C)cc1.
What is the InChIKey of 4-(4-acetylphenyl)-3-methylpiperazin-2-one?
The InChIKey is ZEPXKCYTBHFJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-13(17)14-7-8-15(9)12-5-3-11(4-6-12)10(2)16/h3-6,9H,7-8H2,1-2H3,(H,14,17).
What are the key properties of 4-(4-acetylphenyl)-3-methylpiperazin-2-one?
4-(4-acetylphenyl)-3-methylpiperazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-acetylphenyl)-3-methylpiperazin-2-one is sourced from PubChem (CID 55216694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).