(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone

C11H14BrNO2 — CID 871411

IUPAC(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H14BrNO2/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3,8H,4-7H2,1H3
InChIKeyQHOPPEBIHBTPMW-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.91
Rot. Bonds1

About (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone

(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone (PubChem CID 871411) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
PubChem CID871411
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C11H14BrNO2/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3,8H,4-7H2,1H3
InChIKeyQHOPPEBIHBTPMW-UHFFFAOYSA-N
XLogP2.91
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone (CID 871411) is (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
The InChIKey is QHOPPEBIHBTPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-4-6-13(7-5-8)11(14)9-2-3-10(12)15-9/h2-3,8H,4-7H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone?
(5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 871411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).