[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

C18H21N3O5S — CID 9021288

IUPAC[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C18H21N3O5S/c1-25-16-7-6-14(13-17(16)26-2)27(23,24)21-11-9-20(10-12-21)18(22)15-5-3-4-8-19-15/h3-8,13H,9-12H2,1-2H3
InChIKeyDYQHHNMWODXFPI-UHFFFAOYSA-N
MW391.45 g/mol
LogP1.25
Rot. Bonds5

About [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone

[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (PubChem CID 9021288) has the molecular formula C18H21N3O5S and a molecular weight of 391.45 g/mol. Its IUPAC name is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
PubChem CID9021288
Molecular FormulaC18H21N3O5S
Molecular Weight391.45 g/mol
Exact Mass391.12
IUPAC Name[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1OC
InChIInChI=1S/C18H21N3O5S/c1-25-16-7-6-14(13-17(16)26-2)27(23,24)21-11-9-20(10-12-21)18(22)15-5-3-4-8-19-15/h3-8,13H,9-12H2,1-2H3
InChIKeyDYQHHNMWODXFPI-UHFFFAOYSA-N
XLogP1.25
TPSA89.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 110646197
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazine-1-carbonyl]benzoate
CID 2051875
2-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-oxoacetate
CID 2051856
[4-(4-butan-2-ylphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone
CID 42905627
(5-bromothiophen-2-yl)-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 27852671
1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-pyrazol-1-ylethanone
CID 34407543
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-[(1S,2R)-2-methylcyclopropyl]methanone
CID 9021310
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoate
CID 2051858
3-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-oxopropanoic acid
CID 2051859
2-(2-methoxyphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 38785944
(3-ethyl-4-methoxyphenyl)-[4-(pyridine-2-carbonyl)piperazin-1-yl]methanone
CID 110814057
[4-[6-(3,4-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-pyridin-2-ylmethanone
CID 42110700

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone (CID 9021288) is [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccn3)CC2)cc1OC.
What is the InChIKey of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is DYQHHNMWODXFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S/c1-25-16-7-6-14(13-17(16)26-2)27(23,24)21-11-9-20(10-12-21)18(22)15-5-3-4-8-19-15/h3-8,13H,9-12H2,1-2H3.
What are the key properties of [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone?
[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 391.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 9021288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).