3-piperidin-1-yl-3H-2-benzofuran-1-one

C13H15NO2 — CID 3782457

IUPAC3-piperidin-1-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCCCC2)c2ccccc21
InChIInChI=1S/C13H15NO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeyHJVZILLPTGZKJV-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.34
Rot. Bonds1

About 3-piperidin-1-yl-3H-2-benzofuran-1-one

3-piperidin-1-yl-3H-2-benzofuran-1-one (PubChem CID 3782457) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 3-piperidin-1-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-piperidin-1-yl-3H-2-benzofuran-1-one
PubChem CID3782457
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name3-piperidin-1-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCCCC2)c2ccccc21
InChIInChI=1S/C13H15NO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12H,1,4-5,8-9H2
InChIKeyHJVZILLPTGZKJV-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-piperidin-1-yl-3H-2-benzofuran-1-one?
The IUPAC name of 3-piperidin-1-yl-3H-2-benzofuran-1-one (CID 3782457) is 3-piperidin-1-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-piperidin-1-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-piperidin-1-yl-3H-2-benzofuran-1-one is O=C1OC(N2CCCCC2)c2ccccc21.
What is the InChIKey of 3-piperidin-1-yl-3H-2-benzofuran-1-one?
The InChIKey is HJVZILLPTGZKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13-11-7-3-2-6-10(11)12(16-13)14-8-4-1-5-9-14/h2-3,6-7,12H,1,4-5,8-9H2.
What are the key properties of 3-piperidin-1-yl-3H-2-benzofuran-1-one?
3-piperidin-1-yl-3H-2-benzofuran-1-one has a molecular weight of 217.27 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-1-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 3782457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).