4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one

C15H20N2O2 — CID 110644815

IUPAC4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(=O)N1CCNC(=O)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)14-15(19)16-8-9-17(14)11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,19)
InChIKeyKJQRQIOVKCHLBV-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.83
Rot. Bonds2

About 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one

4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one (PubChem CID 110644815) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
PubChem CID110644815
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one
SMILESCC(=O)N1CCNC(=O)C1c1ccc(C(C)C)cc1
InChIInChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)14-15(19)16-8-9-17(14)11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,19)
InChIKeyKJQRQIOVKCHLBV-UHFFFAOYSA-N
XLogP1.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110420160
3-(4-propan-2-ylphenyl)-4-(2-thiophen-2-ylacetyl)piperazin-2-one
CID 110420284
3-[3-oxo-2-(4-propan-2-ylphenyl)piperazine-1-carbonyl]benzonitrile
CID 110420275
3-(2-chlorophenyl)-4-(4-propan-2-ylbenzoyl)piperazin-2-one
CID 110657344
3-(4-fluorophenyl)-4-[2-(4-methoxyphenyl)-3-methylbutanoyl]piperazin-2-one
CID 110620016
4-(2,2-dimethylpropanoyl)-3-(4-fluorophenyl)piperazin-2-one
CID 110428483
4-(2,2-dimethylpropanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644668
4-(4-ethylphenyl)sulfonyl-3-(4-propan-2-ylphenyl)piperazin-2-one
CID 110420326
4-acetyl-3-methylpiperazin-2-one
CID 13190467
4-(3,3-dimethylbutanoyl)-3-(4-methylphenyl)piperazin-2-one
CID 110644711
N-[4-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]phenyl]acetamide
CID 110669940
6-[2-(4-fluorophenyl)-3-oxopiperazine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
CID 72885693

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The IUPAC name of 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one (CID 110644815) is 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one.
What is the SMILES notation for 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The canonical SMILES for 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one is CC(=O)N1CCNC(=O)C1c1ccc(C(C)C)cc1.
What is the InChIKey of 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
The InChIKey is KJQRQIOVKCHLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-10(2)12-4-6-13(7-5-12)14-15(19)16-8-9-17(14)11(3)18/h4-7,10,14H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one?
4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one has a molecular weight of 260.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-3-(4-propan-2-ylphenyl)piperazin-2-one is sourced from PubChem (CID 110644815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).