4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one

C20H20FNO4 — CID 138594566

IUPAC4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc(COc2cc(F)c3c(c2)C(=O)OC32CCNCC2)cc1
InChIInChI=1S/C20H20FNO4/c1-24-14-4-2-13(3-5-14)12-25-15-10-16-18(17(21)11-15)20(26-19(16)23)6-8-22-9-7-20/h2-5,10-11,22H,6-9,12H2,1H3
InChIKeyGJWXWRPPTFLQQL-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.16
Rot. Bonds4

About 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one

4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594566) has the molecular formula C20H20FNO4 and a molecular weight of 357.38 g/mol. Its IUPAC name is 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594566
Molecular FormulaC20H20FNO4
Molecular Weight357.38 g/mol
Exact Mass357.14
IUPAC Name4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCOc1ccc(COc2cc(F)c3c(c2)C(=O)OC32CCNCC2)cc1
InChIInChI=1S/C20H20FNO4/c1-24-14-4-2-13(3-5-14)12-25-15-10-16-18(17(21)11-15)20(26-19(16)23)6-8-22-9-7-20/h2-5,10-11,22H,6-9,12H2,1H3
InChIKeyGJWXWRPPTFLQQL-UHFFFAOYSA-N
XLogP3.16
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594566) is 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one is COc1ccc(COc2cc(F)c3c(c2)C(=O)OC32CCNCC2)cc1.
What is the InChIKey of 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is GJWXWRPPTFLQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO4/c1-24-14-4-2-13(3-5-14)12-25-15-10-16-18(17(21)11-15)20(26-19(16)23)6-8-22-9-7-20/h2-5,10-11,22H,6-9,12H2,1H3.
What are the key properties of 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one?
4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 357.38 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[(4-methoxyphenyl)methoxy]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).