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

C20H20FNO3 — CID 138594410

IUPAC1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)OC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20FNO3/c1-24-15-11-16-18(17(21)12-15)20(25-19(16)23)7-9-22(10-8-20)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyNOXAEVUDDRYKLN-UHFFFAOYSA-N
MW341.38 g/mol
LogP3.50
Rot. Bonds3

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

1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594410) has the molecular formula C20H20FNO3 and a molecular weight of 341.38 g/mol. Its IUPAC name is 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594410
Molecular FormulaC20H20FNO3
Molecular Weight341.38 g/mol
Exact Mass341.14
IUPAC Name1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1cc(F)c2c(c1)C(=O)OC21CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H20FNO3/c1-24-15-11-16-18(17(21)12-15)20(25-19(16)23)7-9-22(10-8-20)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3
InChIKeyNOXAEVUDDRYKLN-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594410) is 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one is COc1cc(F)c2c(c1)C(=O)OC21CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is NOXAEVUDDRYKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO3/c1-24-15-11-16-18(17(21)12-15)20(25-19(16)23)7-9-22(10-8-20)13-14-5-3-2-4-6-14/h2-6,11-12H,7-10,13H2,1H3.
What are the key properties of 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 341.38 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-4-fluoro-6-methoxyspiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).