4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one

C13H14FNO3 — CID 138594881

IUPAC4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C13H14FNO3/c1-17-8-6-9-11(10(14)7-8)13(18-12(9)16)2-4-15-5-3-13/h6-7,15H,2-5H2,1H3
InChIKeyXRUBZPVJIHTLEK-UHFFFAOYSA-N
MW251.26 g/mol
LogP1.58
Rot. Bonds1

About 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one

4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594881) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594881
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C13H14FNO3/c1-17-8-6-9-11(10(14)7-8)13(18-12(9)16)2-4-15-5-3-13/h6-7,15H,2-5H2,1H3
InChIKeyXRUBZPVJIHTLEK-UHFFFAOYSA-N
XLogP1.58
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594881) is 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one is COc1cc(F)c2c(c1)C(=O)OC21CCNCC1.
What is the InChIKey of 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is XRUBZPVJIHTLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-17-8-6-9-11(10(14)7-8)13(18-12(9)16)2-4-15-5-3-13/h6-7,15H,2-5H2,1H3.
What are the key properties of 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 251.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).