4-(2-benzhydrylsulfinylacetyl)piperazin-2-one

C19H20N2O3S — CID 51034795

IUPAC4-(2-benzhydrylsulfinylacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)CS(=O)C(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H20N2O3S/c22-17-13-21(12-11-20-17)18(23)14-25(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,20,22)
InChIKeyRKIRUUNDWLYJSM-UHFFFAOYSA-N
MW356.45 g/mol
LogP1.48
Rot. Bonds5

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

4-(2-benzhydrylsulfinylacetyl)piperazin-2-one (PubChem CID 51034795) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one.

Molecular Properties

Compound Name4-(2-benzhydrylsulfinylacetyl)piperazin-2-one
PubChem CID51034795
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Name4-(2-benzhydrylsulfinylacetyl)piperazin-2-one
SMILESO=C1CN(C(=O)CS(=O)C(c2ccccc2)c2ccccc2)CCN1
InChIInChI=1S/C19H20N2O3S/c22-17-13-21(12-11-20-17)18(23)14-25(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,20,22)
InChIKeyRKIRUUNDWLYJSM-UHFFFAOYSA-N
XLogP1.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3,3-bis(4-chlorophenyl)propanoyl]piperazin-2-one;4-(3,3-diphenylpropanoyl)piperazin-2-one
CID 158029999
4-(2-phenylpentanoyl)piperazin-2-one
CID 42910023
4-(2-pyridin-2-ylacetyl)piperazin-2-one
CID 62850564
4-[2-[benzyl(propan-2-yl)amino]acetyl]piperazin-2-one
CID 34557661
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]sulfinyl-2-phenylacetic acid
CID 123119159
6-oxo-6-(3-oxopiperazin-1-yl)hexanoic acid
CID 43447158
1-[3-(2-chlorophenyl)-3-phenylpropanoyl]-1,4-diazepan-5-one
CID 45228203
4-(2-hydroxy-2,2-diphenylacetyl)piperazin-2-one
CID 110878709
1-(2-anilinoacetyl)-1,4-diazepan-5-one
CID 63004979
4-[4-methyl-2-oxo-1-(1-phenylethyl)pyridine-3-carbonyl]piperazin-2-one
CID 172662740
4-[2-(2-propan-2-yloxyanilino)acetyl]piperazin-2-one
CID 87029030
4-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]acetyl]piperazin-2-one
CID 120761451

Frequently Asked Questions

What is the IUPAC name of 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one?
The IUPAC name of 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one (CID 51034795) is 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one.
What is the SMILES notation for 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one?
The canonical SMILES for 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one is O=C1CN(C(=O)CS(=O)C(c2ccccc2)c2ccccc2)CCN1.
What is the InChIKey of 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one?
The InChIKey is RKIRUUNDWLYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c22-17-13-21(12-11-20-17)18(23)14-25(24)19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,19H,11-14H2,(H,20,22).
What are the key properties of 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one?
4-(2-benzhydrylsulfinylacetyl)piperazin-2-one has a molecular weight of 356.45 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-benzhydrylsulfinylacetyl)piperazin-2-one is sourced from PubChem (CID 51034795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).