1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one

C19H20N2O2S — CID 70756809

IUPAC1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
SMILESCSc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-3-7-16(8-4-14)21-12-11-20(13-18(21)22)19(23)15-5-9-17(24-2)10-6-15/h3-10H,11-13H2,1-2H3
InChIKeyIRXYQQWWFMKARI-UHFFFAOYSA-N
MW340.45 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one

1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one (PubChem CID 70756809) has the molecular formula C19H20N2O2S and a molecular weight of 340.45 g/mol. Its IUPAC name is 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
PubChem CID70756809
Molecular FormulaC19H20N2O2S
Molecular Weight340.45 g/mol
Exact Mass340.12
IUPAC Name1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one
SMILESCSc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1
InChIInChI=1S/C19H20N2O2S/c1-14-3-7-16(8-4-14)21-12-11-20(13-18(21)22)19(23)15-5-9-17(24-2)10-6-15/h3-10H,11-13H2,1-2H3
InChIKeyIRXYQQWWFMKARI-UHFFFAOYSA-N
XLogP3.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-hydroxy-2-methylbenzoyl)-1-(4-methylphenyl)piperazin-2-one
CID 70717876
4-(4-methylbenzoyl)-1-propan-2-ylpiperazin-2-one
CID 110708969
[4-(4-chlorobenzoyl)piperazin-1-yl]-(4-methylsulfanylphenyl)methanone
CID 110802860
1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
CID 70769002
4-(5-acetyl-6-methyl-2-oxo-1H-pyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70711644
4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
1-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 50896042
4-[2-(2-methylmorpholin-4-yl)pyridine-4-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 126806779
ethyl 4-(4-methylsulfanylbenzoyl)piperazine-1-carboxylate
CID 78791438
4-(2-methoxypyridine-3-carbonyl)-1-(4-methylphenyl)piperazin-2-one
CID 70741390
4-[4-methyl-2-(methylamino)-1,3-thiazole-5-carbonyl]-1-(4-methylphenyl)piperazin-2-one
CID 70772394
1-(4-methylphenyl)-4-(3-pyrrolidin-1-ylpropanoyl)piperazin-2-one
CID 70741232

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one?
The IUPAC name of 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one (CID 70756809) is 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one.
What is the SMILES notation for 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one?
The canonical SMILES for 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one is CSc1ccc(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one?
The InChIKey is IRXYQQWWFMKARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2S/c1-14-3-7-16(8-4-14)21-12-11-20(13-18(21)22)19(23)15-5-9-17(24-2)10-6-15/h3-10H,11-13H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one?
1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one has a molecular weight of 340.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-4-(4-methylsulfanylbenzoyl)piperazin-2-one is sourced from PubChem (CID 70756809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).