1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone

C15H17NO2 — CID 977492

IUPAC1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyXNQRJSVFBWPVGG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.30
Rot. Bonds1

About 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone

1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone (PubChem CID 977492) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
PubChem CID977492
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone
SMILESCC1CCN(C(=O)c2cc3ccccc3o2)CC1
InChIInChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3
InChIKeyXNQRJSVFBWPVGG-UHFFFAOYSA-N
XLogP3.30
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone (CID 977492) is 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone is CC1CCN(C(=O)c2cc3ccccc3o2)CC1.
What is the InChIKey of 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
The InChIKey is XNQRJSVFBWPVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11-6-8-16(9-7-11)15(17)14-10-12-4-2-3-5-13(12)18-14/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone?
1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone has a molecular weight of 243.31 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 977492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).