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

C11H11Br2NO2S — CID 62025390

IUPAC1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h5H,1-4,6H2
InChIKeyVOYXAWVNKSJYGJ-UHFFFAOYSA-N
MW381.09 g/mol
LogP3.47
Rot. Bonds3

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

1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one (PubChem CID 62025390) 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-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
PubChem CID62025390
Molecular FormulaC11H11Br2NO2S
Molecular Weight381.09 g/mol
Exact Mass378.89
IUPAC Name1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
SMILESO=C(CN1CCCCC1=O)c1cc(Br)sc1Br
InChIInChI=1S/C11H11Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h5H,1-4,6H2
InChIKeyVOYXAWVNKSJYGJ-UHFFFAOYSA-N
XLogP3.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.09
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
CID 43227146
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62023560
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-4-one
CID 62051251
1-[2-(2-bromophenyl)-2-oxoethyl]azepan-2-one
CID 62023147
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4-propan-2-ylpyrrolidin-2-one
CID 104512195
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62935317
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-[2-(2-methylphenyl)-2-oxoethyl]azocan-2-one
CID 62019552
1-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]azepan-2-one
CID 62023902
N-[(5-bromothiophen-2-yl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 78864516
1-[2-(3-hydroxyphenyl)-2-oxoethyl]piperidin-2-one
CID 105492599

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The IUPAC name of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one (CID 62025390) is 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The canonical SMILES for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one is O=C(CN1CCCCC1=O)c1cc(Br)sc1Br.
What is the InChIKey of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one?
The InChIKey is VOYXAWVNKSJYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2NO2S/c12-9-5-7(11(13)17-9)8(15)6-14-4-2-1-3-10(14)16/h5H,1-4,6H2.
What are the key properties of 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one?
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one has a molecular weight of 381.09 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one is sourced from PubChem (CID 62025390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).