1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one

C16H19NO2 — CID 674283

IUPAC1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c18-14(8-11-17-9-4-1-5-10-17)16-12-13-6-2-3-7-15(13)19-16/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyIRADBFAYZCRZAP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.49
Rot. Bonds4

About 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one

1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one (PubChem CID 674283) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one
PubChem CID674283
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one
SMILESO=C(CCN1CCCCC1)c1cc2ccccc2o1
InChIInChI=1S/C16H19NO2/c18-14(8-11-17-9-4-1-5-10-17)16-12-13-6-2-3-7-15(13)19-16/h2-3,6-7,12H,1,4-5,8-11H2
InChIKeyIRADBFAYZCRZAP-UHFFFAOYSA-N
XLogP3.49
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one?
The IUPAC name of 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one (CID 674283) is 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one?
The canonical SMILES for 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one is O=C(CCN1CCCCC1)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one?
The InChIKey is IRADBFAYZCRZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-14(8-11-17-9-4-1-5-10-17)16-12-13-6-2-3-7-15(13)19-16/h2-3,6-7,12H,1,4-5,8-11H2.
What are the key properties of 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one?
1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one has a molecular weight of 257.33 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-3-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 674283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).