1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

C18H20N2O — CID 59756819

IUPAC1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCc2cccnc23)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-15(6-3-1)13-20-11-8-18(9-12-20)17-16(14-21-18)7-4-10-19-17/h1-7,10H,8-9,11-14H2
InChIKeyGVLFXYZCHLAVCX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.10
Rot. Bonds2

About 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]

1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (PubChem CID 59756819) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].

Molecular Properties

Compound Name1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
PubChem CID59756819
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]
SMILESc1ccc(CN2CCC3(CC2)OCc2cccnc23)cc1
InChIInChI=1S/C18H20N2O/c1-2-5-15(6-3-1)13-20-11-8-18(9-12-20)17-16(14-21-18)7-4-10-19-17/h1-7,10H,8-9,11-14H2
InChIKeyGVLFXYZCHLAVCX-UHFFFAOYSA-N
XLogP3.10
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The IUPAC name of 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] (CID 59756819) is 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine].
What is the SMILES notation for 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The canonical SMILES for 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is c1ccc(CN2CCC3(CC2)OCc2cccnc23)cc1.
What is the InChIKey of 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
The InChIKey is GVLFXYZCHLAVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-5-15(6-3-1)13-20-11-8-18(9-12-20)17-16(14-21-18)7-4-10-19-17/h1-7,10H,8-9,11-14H2.
What are the key properties of 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine]?
1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] has a molecular weight of 280.37 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-benzylspiro[5H-furo[3,4-b]pyridine-7,4'-piperidine] is sourced from PubChem (CID 59756819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).