1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone

C11H13Br2NOS — CID 43227146

IUPAC1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2NOS/c12-10-6-8(11(13)16-10)9(15)7-14-4-2-1-3-5-14/h6H,1-5,7H2
InChIKeyIXQQAZNXKPSQQE-UHFFFAOYSA-N
MW367.11 g/mol
LogP3.94
Rot. Bonds3

About 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone

1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone (PubChem CID 43227146) has the molecular formula C11H13Br2NOS and a molecular weight of 367.11 g/mol. Its IUPAC name is 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone.

Molecular Properties

Compound Name1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
PubChem CID43227146
Molecular FormulaC11H13Br2NOS
Molecular Weight367.11 g/mol
Exact Mass364.91
IUPAC Name1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone
SMILESO=C(CN1CCCCC1)c1cc(Br)sc1Br
InChIInChI=1S/C11H13Br2NOS/c12-10-6-8(11(13)16-10)9(15)7-14-4-2-1-3-5-14/h6H,1-5,7H2
InChIKeyIXQQAZNXKPSQQE-UHFFFAOYSA-N
XLogP3.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-4-one
CID 62051251
1-(2,5-dibromothiophen-3-yl)-2-(4-hydroxy-4-methylpiperidin-1-yl)ethanone
CID 81103562
1-(2,5-dibromothiophen-3-yl)-2-(3-methoxypiperidin-1-yl)ethanone
CID 102960626
1-[2-(2,5-dibromothiophen-3-yl)-2-oxoethyl]piperidin-2-one
CID 62025390
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-(2,5-dibromothiophen-3-yl)-2-oxoethyl]-4,4-dimethylpiperidine-2,6-dione
CID 62935317
2-(azepan-1-yl)-1-(2,5-dichlorothiophen-3-yl)ethanone
CID 43227260
2-cyclohexyl-1-(2,5-dibromothiophen-3-yl)ethanone
CID 43344907
1-(2-bromo-4,5-dimethylphenyl)-2-pyrrolidin-1-ylethanone
CID 83988263
cyclooctyl-(2,5-dibromothiophen-3-yl)methanone
CID 65018538
cycloheptyl-(2,5-dibromothiophen-3-yl)methanone
CID 63491664

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone?
The IUPAC name of 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone (CID 43227146) is 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone.
What is the SMILES notation for 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone?
The canonical SMILES for 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone is O=C(CN1CCCCC1)c1cc(Br)sc1Br.
What is the InChIKey of 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone?
The InChIKey is IXQQAZNXKPSQQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Br2NOS/c12-10-6-8(11(13)16-10)9(15)7-14-4-2-1-3-5-14/h6H,1-5,7H2.
What are the key properties of 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone?
1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone has a molecular weight of 367.11 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dibromothiophen-3-yl)-2-piperidin-1-ylethanone is sourced from PubChem (CID 43227146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).