1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine

C17H19N3O — CID 68897805

IUPAC1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)cc(C1CCCNC1)n2Cc1ccoc1
InChIInChI=1S/C17H19N3O/c1-4-15(10-18-6-1)16-9-14-3-2-7-19-17(14)20(16)11-13-5-8-21-12-13/h2-3,5,7-9,12,15,18H,1,4,6,10-11H2
InChIKeyHITJTNAVHFGCKH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds3

About 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine

1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine (PubChem CID 68897805) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
PubChem CID68897805
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)cc(C1CCCNC1)n2Cc1ccoc1
InChIInChI=1S/C17H19N3O/c1-4-15(10-18-6-1)16-9-14-3-2-7-19-17(14)20(16)11-13-5-8-21-12-13/h2-3,5,7-9,12,15,18H,1,4,6,10-11H2
InChIKeyHITJTNAVHFGCKH-UHFFFAOYSA-N
XLogP3.14
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine (CID 68897805) is 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine is c1cnc2c(c1)cc(C1CCCNC1)n2Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
The InChIKey is HITJTNAVHFGCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-4-15(10-18-6-1)16-9-14-3-2-7-19-17(14)20(16)11-13-5-8-21-12-13/h2-3,5,7-9,12,15,18H,1,4,6,10-11H2.
What are the key properties of 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine?
1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine has a molecular weight of 281.36 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68897805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).