1-(2-bromofuran-3-carbonyl)piperidin-3-one

C10H10BrNO3 — CID 106852248

IUPAC1-(2-bromofuran-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H10BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2
InChIKeyMEIZXUGOYYHZEF-UHFFFAOYSA-N
MW272.10 g/mol
LogP1.85
Rot. Bonds1

About 1-(2-bromofuran-3-carbonyl)piperidin-3-one

1-(2-bromofuran-3-carbonyl)piperidin-3-one (PubChem CID 106852248) has the molecular formula C10H10BrNO3 and a molecular weight of 272.10 g/mol. Its IUPAC name is 1-(2-bromofuran-3-carbonyl)piperidin-3-one.

Molecular Properties

Compound Name1-(2-bromofuran-3-carbonyl)piperidin-3-one
PubChem CID106852248
Molecular FormulaC10H10BrNO3
Molecular Weight272.10 g/mol
Exact Mass270.98
IUPAC Name1-(2-bromofuran-3-carbonyl)piperidin-3-one
SMILESO=C1CCCN(C(=O)c2ccoc2Br)C1
InChIInChI=1S/C10H10BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2
InChIKeyMEIZXUGOYYHZEF-UHFFFAOYSA-N
XLogP1.85
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorofuran-3-carbonyl)piperidin-3-one
CID 106685034
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 106852967
(2-bromofuran-3-yl)-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 106852353
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
(2-bromofuran-3-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404696
(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
1-(2-bromofuran-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 106850894
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
1-(3-chloro-2-methylbenzoyl)piperidin-3-one
CID 107096876
(2-bromofuran-3-yl)-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 106852804
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138
(2-bromofuran-3-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 106852656

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromofuran-3-carbonyl)piperidin-3-one?
The IUPAC name of 1-(2-bromofuran-3-carbonyl)piperidin-3-one (CID 106852248) is 1-(2-bromofuran-3-carbonyl)piperidin-3-one.
What is the SMILES notation for 1-(2-bromofuran-3-carbonyl)piperidin-3-one?
The canonical SMILES for 1-(2-bromofuran-3-carbonyl)piperidin-3-one is O=C1CCCN(C(=O)c2ccoc2Br)C1.
What is the InChIKey of 1-(2-bromofuran-3-carbonyl)piperidin-3-one?
The InChIKey is MEIZXUGOYYHZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5H,1-2,4,6H2.
What are the key properties of 1-(2-bromofuran-3-carbonyl)piperidin-3-one?
1-(2-bromofuran-3-carbonyl)piperidin-3-one has a molecular weight of 272.10 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromofuran-3-carbonyl)piperidin-3-one is sourced from PubChem (CID 106852248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).