1-(5-bromothiophene-2-carbonyl)piperidin-4-one

C10H10BrNO2S — CID 24699046

IUPAC1-(5-bromothiophene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2H,3-6H2
InChIKeyDCRQBETWZQSFQI-UHFFFAOYSA-N
MW288.17 g/mol
LogP2.32
Rot. Bonds1

About 1-(5-bromothiophene-2-carbonyl)piperidin-4-one

1-(5-bromothiophene-2-carbonyl)piperidin-4-one (PubChem CID 24699046) has the molecular formula C10H10BrNO2S and a molecular weight of 288.17 g/mol. Its IUPAC name is 1-(5-bromothiophene-2-carbonyl)piperidin-4-one.

Molecular Properties

Compound Name1-(5-bromothiophene-2-carbonyl)piperidin-4-one
PubChem CID24699046
Molecular FormulaC10H10BrNO2S
Molecular Weight288.17 g/mol
Exact Mass286.96
IUPAC Name1-(5-bromothiophene-2-carbonyl)piperidin-4-one
SMILESO=C1CCN(C(=O)c2ccc(Br)s2)CC1
InChIInChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2H,3-6H2
InChIKeyDCRQBETWZQSFQI-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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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophene-2-carbonyl)piperidin-4-one?
The IUPAC name of 1-(5-bromothiophene-2-carbonyl)piperidin-4-one (CID 24699046) is 1-(5-bromothiophene-2-carbonyl)piperidin-4-one.
What is the SMILES notation for 1-(5-bromothiophene-2-carbonyl)piperidin-4-one?
The canonical SMILES for 1-(5-bromothiophene-2-carbonyl)piperidin-4-one is O=C1CCN(C(=O)c2ccc(Br)s2)CC1.
What is the InChIKey of 1-(5-bromothiophene-2-carbonyl)piperidin-4-one?
The InChIKey is DCRQBETWZQSFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO2S/c11-9-2-1-8(15-9)10(14)12-5-3-7(13)4-6-12/h1-2H,3-6H2.
What are the key properties of 1-(5-bromothiophene-2-carbonyl)piperidin-4-one?
1-(5-bromothiophene-2-carbonyl)piperidin-4-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-2-carbonyl)piperidin-4-one is sourced from PubChem (CID 24699046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).