1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone

C12H16BrNO2S — CID 102960675

IUPAC1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H16BrNO2S/c1-16-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)17-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyZTKWOUZLZYGOCQ-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.80
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone

1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone (PubChem CID 102960675) has the molecular formula C12H16BrNO2S and a molecular weight of 318.24 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
PubChem CID102960675
Molecular FormulaC12H16BrNO2S
Molecular Weight318.24 g/mol
Exact Mass317.01
IUPAC Name1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone
SMILESCOC1CCCN(CC(=O)c2ccc(Br)s2)C1
InChIInChI=1S/C12H16BrNO2S/c1-16-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)17-11/h4-5,9H,2-3,6-8H2,1H3
InChIKeyZTKWOUZLZYGOCQ-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone with MolForge

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Related Compounds

1-(5-Bromothiophen-2-yl)-3-[butyl(2-hydroxyethyl)amino]propan-1-one
CID 46231947
2-(2,6-Dimethylmorpholin-4-yl)-1-thiophen-2-ylethanone
CID 4399083
2-Morpholin-4-yl-1-thiophen-2-ylethanone
CID 43227687
1-(5-Bromothiophen-2-yl)-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481163
1-(5-Bromothiophen-2-yl)-2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 113964570
2-(4-Methylmorpholin-4-ium-4-yl)-1-thiophen-2-ylethanone
CID 53315475
1-(5-Methylthiophen-2-yl)-2-morpholin-4-ylethanone
CID 43227714
1-(5-Bromothiophen-2-yl)-3-piperidin-1-ylpropan-1-one
CID 69915916
1-(5-Bromothiophen-2-yl)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 69915917
1-(5-Bromothiophen-2-yl)-3-[4-(1-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 70927104
1-(5-Bromothiophen-2-yl)-3-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
CID 70927105
1-(5-Bromothiophen-2-yl)-3-[2-hydroxyethyl(methyl)amino]propan-1-one
CID 70937973

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The IUPAC name of 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone (CID 102960675) is 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone is COC1CCCN(CC(=O)c2ccc(Br)s2)C1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
The InChIKey is ZTKWOUZLZYGOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO2S/c1-16-9-3-2-6-14(7-9)8-10(15)11-4-5-12(13)17-11/h4-5,9H,2-3,6-8H2,1H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone?
1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone has a molecular weight of 318.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-2-(3-methoxypiperidin-1-yl)ethanone is sourced from PubChem (CID 102960675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).