4-(2-propanoylphenyl)piperazin-2-one

C13H16N2O2 — CID 112677272

IUPAC4-(2-propanoylphenyl)piperazin-2-one
SMILESCCC(=O)c1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H16N2O2/c1-2-12(16)10-5-3-4-6-11(10)15-8-7-14-13(17)9-15/h3-6H,2,7-9H2,1H3,(H,14,17)
InChIKeySUMBSMCRWZNQSB-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.22
Rot. Bonds3

About 4-(2-propanoylphenyl)piperazin-2-one

4-(2-propanoylphenyl)piperazin-2-one (PubChem CID 112677272) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-(2-propanoylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-propanoylphenyl)piperazin-2-one
PubChem CID112677272
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-(2-propanoylphenyl)piperazin-2-one
SMILESCCC(=O)c1ccccc1N1CCNC(=O)C1
InChIInChI=1S/C13H16N2O2/c1-2-12(16)10-5-3-4-6-11(10)15-8-7-14-13(17)9-15/h3-6H,2,7-9H2,1H3,(H,14,17)
InChIKeySUMBSMCRWZNQSB-UHFFFAOYSA-N
XLogP1.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-piperazin-1-ylphenyl)propan-1-one
CID 139690573
4-[2-(ethylaminomethyl)phenyl]piperazin-2-one
CID 43281159
4-(2-pyrrolidin-1-ylphenyl)piperazin-2-one
CID 168513641
4-[2-(1-hydroxypropan-2-yl)phenyl]piperazin-2-one
CID 117340762
4-(2-propanoylphenyl)-1,3-dihydroquinoxalin-2-one
CID 115994549
3-ethyl-4-(2-propanoylphenyl)piperazin-2-one
CID 112677437
2-methyl-3-[2-(3-oxopiperazin-1-yl)phenyl]propanoic acid
CID 117410307
1-[2-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]propan-1-one
CID 112677314
4-[2-[(1S)-1-hydroxyethyl]phenyl]-1,4-diazepan-2-one
CID 65366231
1-[2-[3-(diethylamino)pyrrolidin-1-yl]phenyl]propan-1-one
CID 115994623
1-[2-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]propan-1-one
CID 114678912
1-[2-(4-ethyl-3-methylpiperazin-1-yl)phenyl]propan-1-one
CID 112677439

Frequently Asked Questions

What is the IUPAC name of 4-(2-propanoylphenyl)piperazin-2-one?
The IUPAC name of 4-(2-propanoylphenyl)piperazin-2-one (CID 112677272) is 4-(2-propanoylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(2-propanoylphenyl)piperazin-2-one?
The canonical SMILES for 4-(2-propanoylphenyl)piperazin-2-one is CCC(=O)c1ccccc1N1CCNC(=O)C1.
What is the InChIKey of 4-(2-propanoylphenyl)piperazin-2-one?
The InChIKey is SUMBSMCRWZNQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-12(16)10-5-3-4-6-11(10)15-8-7-14-13(17)9-15/h3-6H,2,7-9H2,1H3,(H,14,17).
What are the key properties of 4-(2-propanoylphenyl)piperazin-2-one?
4-(2-propanoylphenyl)piperazin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propanoylphenyl)piperazin-2-one is sourced from PubChem (CID 112677272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).