1-(5-bromothiophene-3-carbonyl)piperidin-3-one

C10H10BrNO2S — CID 107961918

IUPAC1-(5-bromothiophene-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C10H10BrNO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(13)5-12/h4,6H,1-3,5H2
InChIKeyRTKCTBAWKVKSQM-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.32
Rot. Bonds1

About 1-(5-bromothiophene-3-carbonyl)piperidin-3-one

1-(5-bromothiophene-3-carbonyl)piperidin-3-one (PubChem CID 107961918) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromothiophene-3-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(5-bromothiophene-3-carbonyl)piperidin-3-one
PubChem CID107961918
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromothiophene-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2csc(Br)c2)C1
InChIInChI=1S/C10H10BrNO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(13)5-12/h4,6H,1-3,5H2
InChIKeyRTKCTBAWKVKSQM-UHFFFAOYSA-N
XLogP2.32
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 43647141
(5-bromothiophen-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 119403242
1-(pyridazine-4-carbonyl)piperidin-3-one
CID 104670556
1-(5-bromothiophene-3-carbonyl)piperidine-4-carboxylic acid
CID 43354162
1-(5-bromothiophene-3-carbonyl)-3-methylpiperidine-3-carboxylic acid
CID 55165489
(5-bromothiophen-3-yl)-[4-(2-chloroethyl)-1,4-diazepan-1-yl]methanone
CID 107965875
1-[3-(4-bromothiophen-2-yl)propanoyl]piperidin-3-one
CID 115277144
(5-bromothiophen-3-yl)-(4-propylpiperidin-1-yl)methanone
CID 62204901
1-(2-methylpyridine-4-carbonyl)piperidin-3-one
CID 106753061
1-(4-hydroxy-3-methylbenzoyl)piperidin-3-one
CID 107676237
methyl 1-(5-bromothiophene-3-carbonyl)piperidine-3-carboxylate
CID 78919235
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-3-carbonyl)piperidin-3-one?
The IUPAC name of 1-(5-bromothiophene-3-carbonyl)piperidin-3-one (CID 107961918) is 1-(5-bromothiophene-3-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(5-bromothiophene-3-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(5-bromothiophene-3-carbonyl)piperidin-3-one is O=C1CCCN(C(=O)c2csc(Br)c2)C1.
What is the InChIKey of 1-(5-bromothiophene-3-carbonyl)piperidin-3-one?
The InChIKey is RTKCTBAWKVKSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c11-9-4-7(6-15-9)10(14)12-3-1-2-8(13)5-12/h4,6H,1-3,5H2.
What are the key properties of 1-(5-bromothiophene-3-carbonyl)piperidin-3-one?
1-(5-bromothiophene-3-carbonyl)piperidin-3-one has a molecular weight of 288.17 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophene-3-carbonyl)piperidin-3-one is sourced from PubChem (CID 107961918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).