3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one

C19H19FN2O2 — CID 139326226

IUPAC3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
SMILESCc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F
InChIInChI=1S/C19H19FN2O2/c1-12-3-4-13(10-16(12)20)14-9-15-17(21-11-14)18(23)24-19(15)5-7-22(2)8-6-19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUWVAQHITQWXJRL-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.29
Rot. Bonds1

About 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one

3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one (PubChem CID 139326226) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
PubChem CID139326226
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
SMILESCc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F
InChIInChI=1S/C19H19FN2O2/c1-12-3-4-13(10-16(12)20)14-9-15-17(21-11-14)18(23)24-19(15)5-7-22(2)8-6-19/h3-4,9-11H,5-8H2,1-2H3
InChIKeyUWVAQHITQWXJRL-UHFFFAOYSA-N
XLogP3.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one (CID 139326226) is 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one is Cc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The InChIKey is UWVAQHITQWXJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12-3-4-13(10-16(12)20)14-9-15-17(21-11-14)18(23)24-19(15)5-7-22(2)8-6-19/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one has a molecular weight of 326.37 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 139326226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).