4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one

C19H20FN3O2 — CID 138594446

IUPAC4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(Cc1cccnc1)c1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C19H20FN3O2/c1-23(12-13-3-2-6-22-11-13)14-9-15-17(16(20)10-14)19(25-18(15)24)4-7-21-8-5-19/h2-3,6,9-11,21H,4-5,7-8,12H2,1H3
InChIKeyIPRWKROHDWAUTC-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.61
Rot. Bonds3

About 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one

4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 138594446) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID138594446
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESCN(Cc1cccnc1)c1cc(F)c2c(c1)C(=O)OC21CCNCC1
InChIInChI=1S/C19H20FN3O2/c1-23(12-13-3-2-6-22-11-13)14-9-15-17(16(20)10-14)19(25-18(15)24)4-7-21-8-5-19/h2-3,6,9-11,21H,4-5,7-8,12H2,1H3
InChIKeyIPRWKROHDWAUTC-UHFFFAOYSA-N
XLogP2.61
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 138594446) is 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one is CN(Cc1cccnc1)c1cc(F)c2c(c1)C(=O)OC21CCNCC1.
What is the InChIKey of 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is IPRWKROHDWAUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-23(12-13-3-2-6-22-11-13)14-9-15-17(16(20)10-14)19(25-18(15)24)4-7-21-8-5-19/h2-3,6,9-11,21H,4-5,7-8,12H2,1H3.
What are the key properties of 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one?
4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 341.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[methyl(pyridin-3-ylmethyl)amino]spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 138594446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).