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

C20H21FN2O2 — CID 126699123

IUPAC3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
SMILESCCc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F
InChIInChI=1S/C20H21FN2O2/c1-3-13-4-5-14(11-17(13)21)15-10-16-18(22-12-15)19(24)25-20(16)6-8-23(2)9-7-20/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyYTRUHVAPVURGRK-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.54
Rot. Bonds2

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

3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one (PubChem CID 126699123) has the molecular formula C20H21FN2O2 and a molecular weight of 340.40 g/mol. Its IUPAC name is 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one.

Molecular Properties

Compound Name3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
PubChem CID126699123
Molecular FormulaC20H21FN2O2
Molecular Weight340.40 g/mol
Exact Mass340.16
IUPAC Name3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one
SMILESCCc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F
InChIInChI=1S/C20H21FN2O2/c1-3-13-4-5-14(11-17(13)21)15-10-16-18(22-12-15)19(24)25-20(16)6-8-23(2)9-7-20/h4-5,10-12H,3,6-9H2,1-2H3
InChIKeyYTRUHVAPVURGRK-UHFFFAOYSA-N
XLogP3.54
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The IUPAC name of 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one (CID 126699123) is 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one.
What is the SMILES notation for 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The canonical SMILES for 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one is CCc1ccc(-c2cnc3c(c2)C2(CCN(C)CC2)OC3=O)cc1F.
What is the InChIKey of 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
The InChIKey is YTRUHVAPVURGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O2/c1-3-13-4-5-14(11-17(13)21)15-10-16-18(22-12-15)19(24)25-20(16)6-8-23(2)9-7-20/h4-5,10-12H,3,6-9H2,1-2H3.
What are the key properties of 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one?
3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one has a molecular weight of 340.40 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3-fluorophenyl)-1'-methylspiro[furo[3,4-b]pyridine-5,4'-piperidine]-7-one is sourced from PubChem (CID 126699123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).