[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone

C20H24N2O3S — CID 120733266

IUPAC[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(CS(C)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-4-3-8-17(19)18-13-21-10-11-22(18)20(23)16-7-5-6-15(12-16)14-26(2)24/h3-9,12,18,21H,10-11,13-14H2,1-2H3
InChIKeyGSAGNPOYKXFDEO-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.36
Rot. Bonds5

About [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone (PubChem CID 120733266) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
PubChem CID120733266
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cccc(CS(C)=O)c1
InChIInChI=1S/C20H24N2O3S/c1-25-19-9-4-3-8-17(19)18-13-21-10-11-22(18)20(23)16-7-5-6-15(12-16)14-26(2)24/h3-9,12,18,21H,10-11,13-14H2,1-2H3
InChIKeyGSAGNPOYKXFDEO-UHFFFAOYSA-N
XLogP2.36
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone 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

[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(pyrrolidin-1-ylmethyl)phenyl]methanone;dihydrochloride
CID 120735196
[2-(3-fluorophenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone
CID 120736025
(4-ethylphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733353
(3,4-diethoxyphenyl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120733355
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-[4-(methylsulfanylmethyl)phenyl]methanone
CID 120734013
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 120735113
[3-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]phenyl]-piperidin-1-ylmethanone;hydrochloride
CID 120753770
2-(3-fluorophenyl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 129465770
[2-(2-methoxyphenyl)piperazin-1-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 120732780
1-[3-[2-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-3-propan-2-ylurea;hydrochloride
CID 120734964
1-[2-(2-methoxyphenyl)piperazin-1-yl]-4-phenylbutane-1,4-dione;hydrochloride
CID 120735112

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The IUPAC name of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone (CID 120733266) is [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone.
What is the SMILES notation for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The canonical SMILES for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cccc(CS(C)=O)c1.
What is the InChIKey of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
The InChIKey is GSAGNPOYKXFDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c1-25-19-9-4-3-8-17(19)18-13-21-10-11-22(18)20(23)16-7-5-6-15(12-16)14-26(2)24/h3-9,12,18,21H,10-11,13-14H2,1-2H3.
What are the key properties of [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone?
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone has a molecular weight of 372.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyphenyl)piperazin-1-yl]-[3-(methylsulfinylmethyl)phenyl]methanone is sourced from PubChem (CID 120733266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).