1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one

C11H11Br2NO2S — CID 62051251

IUPAC1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H11Br2NO2S/c12-10-5-8(11(13)17-10)9(16)6-14-3-1-7(15)2-4-14/h5H,1-4,6H2
InChIKeyBADNOKWJMWCJLK-UHFFFAOYSA-N
MW381.09 g/mol
LogP3.12
Rot. Bonds3

About 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one

1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one (PubChem CID 62051251) has the molecular formula C11H11Br2NO2S and a molecular weight of 381.09 g/mol. Its IUPAC name is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
PubChem CID62051251
Molecular FormulaC11H11Br2NO2S
Molecular Weight381.09 g/mol
Exact Mass378.89
IUPAC Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
SMILESO=C1CCN(CC(=O)c2cc(Br)sc2Br)CC1
InChIInChI=1S/C11H11Br2NO2S/c12-10-5-8(11(13)17-10)9(16)6-14-3-1-7(15)2-4-14/h5H,1-4,6H2
InChIKeyBADNOKWJMWCJLK-UHFFFAOYSA-N
XLogP3.12
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.09
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146
1-(2,5-dibromothiophen-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103562
1-(2,5-dibromothiophen-3-yl)-2-(1,4-oxazepan-4-yl)ethanone
CID 62974697
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62025390
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62053004
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62935317
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43228989
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
1-(2,5-dibromothiophen-3-yl)-2-methylsulfonylethanone
CID 62784747
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 62018999
1-[2-(2,5-dichlorophenyl)-2-oxoethyl]piperidin-4-one
CID 62053397
1-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]piperidin-4-one
CID 60650473

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one?
The IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one (CID 62051251) is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one.
What is the SMILES notation for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one?
The canonical SMILES for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one is O=C1CCN(CC(=O)c2cc(Br)sc2Br)CC1.
What is the InChIKey of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one?
The InChIKey is BADNOKWJMWCJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2S/c12-10-5-8(11(13)17-10)9(16)6-14-3-1-7(15)2-4-14/h5H,1-4,6H2.
What are the key properties of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one?
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one has a molecular weight of 381.09 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one is sourced from PubChem (CID 62051251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).