1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone

C20H24N2O2S — CID 2281926

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-16-7-9-17(10-8-16)25-15-20(23)22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10H,11-15H2,1-2H3
InChIKeyRZZLUAXBGBVXTH-UHFFFAOYSA-N
MW356.49 g/mol
LogP3.44
Rot. Bonds5

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

1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone (PubChem CID 2281926) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
PubChem CID2281926
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone
SMILESCOc1ccccc1N1CCN(C(=O)CSc2ccc(C)cc2)CC1
InChIInChI=1S/C20H24N2O2S/c1-16-7-9-17(10-8-16)25-15-20(23)22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10H,11-15H2,1-2H3
InChIKeyRZZLUAXBGBVXTH-UHFFFAOYSA-N
XLogP3.44
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.49
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-piperidin-2-one
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1-{5-[4-(2-Propoxy-phenyl)-piperazin-1-ylmethyl]-thiophen-3-ylmethyl}-pyrrolidin-2-one
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N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-thiophen-3-yl-acrylamide
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3-[6-[4-(2-Methoxyphenyl)piperazin-1-yl]hexyl]-1,3-benzothiazol-2-one
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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone (CID 2281926) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone is COc1ccccc1N1CCN(C(=O)CSc2ccc(C)cc2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is RZZLUAXBGBVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-16-7-9-17(10-8-16)25-15-20(23)22-13-11-21(12-14-22)18-5-3-4-6-19(18)24-2/h3-10H,11-15H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 356.49 g/mol, XLogP of 3.44, 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-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 2281926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).