4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one

C19H20N2O3 — CID 70717876

IUPAC4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3cccc(O)c3C)CC2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-11-10-20(12-18(21)23)19(24)16-4-3-5-17(22)14(16)2/h3-9,22H,10-12H2,1-2H3
InChIKeyWLBPKEONVRAXGI-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.50
Rot. Bonds2

About 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one

4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one (PubChem CID 70717876) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one.

Molecular Properties

Compound Name4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
PubChem CID70717876
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
SMILESCc1ccc(N2CCN(C(=O)c3cccc(O)c3C)CC2=O)cc1
InChIInChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-11-10-20(12-18(21)23)19(24)16-4-3-5-17(22)14(16)2/h3-9,22H,10-12H2,1-2H3
InChIKeyWLBPKEONVRAXGI-UHFFFAOYSA-N
XLogP2.50
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
CID 70756809
(3,4-dihydroxypyrrolidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 106669828
(3-hydroxyazetidin-1-yl)-(3-hydroxy-2-methylphenyl)methanone
CID 82829609
4-(2,3-dihydro-1,4-benzodioxine-5-carbonyl)-1-(3,5-dimethylphenyl)piperazin-2-one
CID 91776115
4-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70767057
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232
(3-hydroxy-2-methylphenyl)-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 82828823
1-(4-methoxyphenyl)-4-(6-methylpyridine-2-carbonyl)piperazin-2-one
CID 70722598

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one?
The IUPAC name of 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one (CID 70717876) is 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one.
What is the SMILES notation for 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one?
The canonical SMILES for 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one is Cc1ccc(N2CCN(C(=O)c3cccc(O)c3C)CC2=O)cc1.
What is the InChIKey of 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one?
The InChIKey is WLBPKEONVRAXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-6-8-15(9-7-13)21-11-10-20(12-18(21)23)19(24)16-4-3-5-17(22)14(16)2/h3-9,22H,10-12H2,1-2H3.
What are the key properties of 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one?
4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one has a molecular weight of 324.38 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one is sourced from PubChem (CID 70717876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).