4-(4-methylsulfonylbenzoyl)piperazin-2-one

C12H14N2O4S — CID 31095751

IUPAC4-(4-methylsulfonylbenzoyl)piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-19(17,18)10-4-2-9(3-5-10)12(16)14-7-6-13-11(15)8-14/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyZCEODKCVHGIKPW-UHFFFAOYSA-N
MW282.32 g/mol
LogP-0.34
Rot. Bonds2

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

4-(4-methylsulfonylbenzoyl)piperazin-2-one (PubChem CID 31095751) has the molecular formula C12H14N2O4S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(4-methylsulfonylbenzoyl)piperazin-2-one.

Molecular Properties

Compound Name4-(4-methylsulfonylbenzoyl)piperazin-2-one
PubChem CID31095751
Molecular FormulaC12H14N2O4S
Molecular Weight282.32 g/mol
Exact Mass282.07
IUPAC Name4-(4-methylsulfonylbenzoyl)piperazin-2-one
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1
InChIInChI=1S/C12H14N2O4S/c1-19(17,18)10-4-2-9(3-5-10)12(16)14-7-6-13-11(15)8-14/h2-5H,6-8H2,1H3,(H,13,15)
InChIKeyZCEODKCVHGIKPW-UHFFFAOYSA-N
XLogP-0.34
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-methylsulfonylbenzoyl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(3-oxopiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 35795642
(4-methylsulfonylphenyl)-piperazin-1-ylmethanone;hydrochloride
CID 119403609
4-(4-sulfanylbenzoyl)piperazin-2-one
CID 107021530
4-(4-aminobenzoyl)piperazin-2-one;hydrochloride
CID 119681651
4-(3-oxopiperazine-1-carbonyl)benzonitrile
CID 24699494
4-(4-hydrazinylbenzoyl)piperazin-2-one
CID 62241624
4-[4-[(dimethylamino)methyl]benzoyl]piperazin-2-one
CID 62734574
4-[4-(3-methylpiperazine-1-carbonyl)phenyl]sulfonylpiperazin-2-one
CID 119578328
1-[4-(trifluoromethylsulfonyl)benzoyl]-1,4-diazepan-5-one
CID 95164261
4-(3-methoxy-4-nitrobenzoyl)piperazin-2-one
CID 115602215
4-[4-(tetrazol-1-yl)benzoyl]piperazin-2-one
CID 47111544
N-[6-(3-oxopiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]methanesulfonamide
CID 39342305

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylbenzoyl)piperazin-2-one?
The IUPAC name of 4-(4-methylsulfonylbenzoyl)piperazin-2-one (CID 31095751) is 4-(4-methylsulfonylbenzoyl)piperazin-2-one.
What is the SMILES notation for 4-(4-methylsulfonylbenzoyl)piperazin-2-one?
The canonical SMILES for 4-(4-methylsulfonylbenzoyl)piperazin-2-one is CS(=O)(=O)c1ccc(C(=O)N2CCNC(=O)C2)cc1.
What is the InChIKey of 4-(4-methylsulfonylbenzoyl)piperazin-2-one?
The InChIKey is ZCEODKCVHGIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S/c1-19(17,18)10-4-2-9(3-5-10)12(16)14-7-6-13-11(15)8-14/h2-5H,6-8H2,1H3,(H,13,15).
What are the key properties of 4-(4-methylsulfonylbenzoyl)piperazin-2-one?
4-(4-methylsulfonylbenzoyl)piperazin-2-one has a molecular weight of 282.32 g/mol, XLogP of -0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylbenzoyl)piperazin-2-one is sourced from PubChem (CID 31095751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).