(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone

C10H12BrNO3 — CID 106852967

IUPAC(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCCC(O)C1
InChIInChI=1S/C10H12BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5,7,13H,1-2,4,6H2
InChIKeyXAPDDSSSDNWOPN-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.64
Rot. Bonds1

About (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone

(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone (PubChem CID 106852967) has the molecular formula C10H12BrNO3 and a molecular weight of 274.11 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
PubChem CID106852967
Molecular FormulaC10H12BrNO3
Molecular Weight274.11 g/mol
Exact Mass273.00
IUPAC Name(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone
SMILESO=C(c1ccoc1Br)N1CCCC(O)C1
InChIInChI=1S/C10H12BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5,7,13H,1-2,4,6H2
InChIKeyXAPDDSSSDNWOPN-UHFFFAOYSA-N
XLogP1.64
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromofuran-3-yl)-(3-methylpyrrolidin-1-yl)methanone
CID 106853680
(2-bromofuran-3-yl)-(3-chloro-4-methylpiperidin-1-yl)methanone
CID 106856247
(2-bromofuran-3-yl)-(4-chloropiperidin-1-yl)methanone
CID 106856052
N-[[1-(2-bromofuran-3-carbonyl)piperidin-3-yl]methyl]methanesulfonamide
CID 106853554
(2-bromo-3-methylphenyl)-[(3S)-3-hydroxypiperidin-1-yl]methanone
CID 107300623
(2-bromofuran-3-yl)-(3-methoxypyrrolidin-1-yl)methanone
CID 106854462
(2-bromofuran-3-yl)-(3-hydroxy-4-methylpyrrolidin-1-yl)methanone
CID 131196683
(3-bromo-2-chlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 103993791
1-(2-bromofuran-3-carbonyl)azetidine-3-carboxylic acid
CID 106851047
1-(2-bromofuran-3-carbonyl)piperidin-3-one
CID 106852248
(4-bromo-2-methylphenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43630039
1-(2-bromofuran-3-carbonyl)piperidine-4-carbonitrile
CID 106852138

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone?
The IUPAC name of (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone (CID 106852967) is (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone is O=C(c1ccoc1Br)N1CCCC(O)C1.
What is the InChIKey of (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone?
The InChIKey is XAPDDSSSDNWOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNO3/c11-9-8(3-5-15-9)10(14)12-4-1-2-7(13)6-12/h3,5,7,13H,1-2,4,6H2.
What are the key properties of (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone?
(2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone has a molecular weight of 274.11 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 106852967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).