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

C18H23FN2O3 — CID 138594463

IUPAC4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2c(F)cc(OCCN3CCCC3)cc21
InChIInChI=1S/C18H23FN2O3/c19-15-12-13(23-10-9-21-7-1-2-8-21)11-14-16(15)18(24-17(14)22)3-5-20-6-4-18/h11-12,20H,1-10H2
InChIKeySGZRVJMGCXBLNA-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.05
Rot. Bonds4

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

4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594463) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594463
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Name4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCNCC2)c2c(F)cc(OCCN3CCCC3)cc21
InChIInChI=1S/C18H23FN2O3/c19-15-12-13(23-10-9-21-7-1-2-8-21)11-14-16(15)18(24-17(14)22)3-5-20-6-4-18/h11-12,20H,1-10H2
InChIKeySGZRVJMGCXBLNA-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594463) is 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCNCC2)c2c(F)cc(OCCN3CCCC3)cc21.
What is the InChIKey of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is SGZRVJMGCXBLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c19-15-12-13(23-10-9-21-7-1-2-8-21)11-14-16(15)18(24-17(14)22)3-5-20-6-4-18/h11-12,20H,1-10H2.
What are the key properties of 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one?
4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 334.39 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-(2-pyrrolidin-1-ylethoxy)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).