1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]

C20H24N2O — CID 118174295

IUPAC1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC1(C)OC2(CCN(Cc3ccccc3)CC2)c2ncccc21
InChIInChI=1S/C20H24N2O/c1-19(2)17-9-6-12-21-18(17)20(23-19)10-13-22(14-11-20)15-16-7-4-3-5-8-16/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyAARJFVNGLINBAY-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.84
Rot. Bonds2

About 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]

1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 118174295) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID118174295
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]
SMILESCC1(C)OC2(CCN(Cc3ccccc3)CC2)c2ncccc21
InChIInChI=1S/C20H24N2O/c1-19(2)17-9-6-12-21-18(17)20(23-19)10-13-22(14-11-20)15-16-7-4-3-5-8-16/h3-9,12H,10-11,13-15H2,1-2H3
InChIKeyAARJFVNGLINBAY-UHFFFAOYSA-N
XLogP3.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] (CID 118174295) is 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] is CC1(C)OC2(CCN(Cc3ccccc3)CC2)c2ncccc21.
What is the InChIKey of 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is AARJFVNGLINBAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-19(2)17-9-6-12-21-18(17)20(23-19)10-13-22(14-11-20)15-16-7-4-3-5-8-16/h3-9,12H,10-11,13-15H2,1-2H3.
What are the key properties of 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine]?
1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 308.43 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzyl-5,5-dimethylspiro[furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 118174295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).