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

C11H14BrNO2 — CID 2932965

IUPAC(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyGDJWDAMVXQWKOI-UHFFFAOYSA-N
MW272.14 g/mol
LogP3.06
Rot. Bonds1

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

(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone (PubChem CID 2932965) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
PubChem CID2932965
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone
SMILESCC1CCCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C11H14BrNO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3
InChIKeyGDJWDAMVXQWKOI-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
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)-(2-methylpiperidin-1-yl)methanone?
The IUPAC name of (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone (CID 2932965) is (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone?
The canonical SMILES for (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone is CC1CCCCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone?
The InChIKey is GDJWDAMVXQWKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-8-4-2-3-7-13(8)11(14)9-5-6-10(12)15-9/h5-6,8H,2-4,7H2,1H3.
What are the key properties of (5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone?
(5-bromofuran-2-yl)-(2-methylpiperidin-1-yl)methanone has a molecular weight of 272.14 g/mol, XLogP of 3.06, 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)-(2-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 2932965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).