1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

C19H22N2O2S — CID 801394

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19(22)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyXVOQYYUBUWWDFY-UHFFFAOYSA-N
MW342.46 g/mol
LogP3.14
Rot. Bonds5

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (PubChem CID 801394) has the molecular formula C19H22N2O2S and a molecular weight of 342.46 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
PubChem CID801394
Molecular FormulaC19H22N2O2S
Molecular Weight342.46 g/mol
Exact Mass342.14
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccccc2)CC1
InChIInChI=1S/C19H22N2O2S/c1-23-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19(22)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3
InChIKeyXVOQYYUBUWWDFY-UHFFFAOYSA-N
XLogP3.14
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.46
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thiophene-2-carboxylic acid {4-[4-(2-methoxy-phenyl)-piperazin-1-yl]-butyl}-amide
CID 10248783
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-2-ylmethyl}-piperidin-2-one; hydrochloride
CID 10836245
N-(2-Methoxy-phenyl)-N-(2-oxo-2-piperidin-1-yl-ethyl)-benzenesulfonamide
CID 651524
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
CID 10905430
3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
CID 118713684
3-[7-[4-(2-Methoxyphenyl)piperazin-1-yl]heptyl]-1,3-benzothiazol-2-one
CID 118713688
[4-(2-Ethoxy-phenyl)-piperazin-1-yl]-thiophen-2-yl-methanone
CID 896558
N-(2-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 2234469
2-(2,3-dihydro-1,4-benzothiazin-4-yl)-N-(2-methoxyphenyl)acetamide
CID 2441315
2-[(3-Methoxyphenyl)thio]-1-(4-phenylpiperazino)ethan-1-one
CID 2810018
2-(2,6-dimethyl-3,5-dioxothiomorpholin-4-yl)-N-(2-ethoxyphenyl)acetamide
CID 4464614
N-{2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl}acetamide
CID 8240066

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone (CID 801394) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is COc1ccccc1N1CCN(C(=O)CSc2ccccc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
The InChIKey is XVOQYYUBUWWDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2S/c1-23-18-10-6-5-9-17(18)20-11-13-21(14-12-20)19(22)15-24-16-7-3-2-4-8-16/h2-10H,11-15H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone has a molecular weight of 342.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylsulfanylethanone is sourced from PubChem (CID 801394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).