1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine

C17H19N3O — CID 68896318

IUPAC1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)c(C1CCNCC1)cn2Cc1ccoc1
InChIInChI=1S/C17H19N3O/c1-2-15-16(14-3-7-18-8-4-14)11-20(17(15)19-6-1)10-13-5-9-21-12-13/h1-2,5-6,9,11-12,14,18H,3-4,7-8,10H2
InChIKeyWZAOTRHGJBEFOH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.14
Rot. Bonds3

About 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine

1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine (PubChem CID 68896318) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine
PubChem CID68896318
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine
SMILESc1cnc2c(c1)c(C1CCNCC1)cn2Cc1ccoc1
InChIInChI=1S/C17H19N3O/c1-2-15-16(14-3-7-18-8-4-14)11-20(17(15)19-6-1)10-13-5-9-21-12-13/h1-2,5-6,9,11-12,14,18H,3-4,7-8,10H2
InChIKeyWZAOTRHGJBEFOH-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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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine (CID 68896318) is 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine is c1cnc2c(c1)c(C1CCNCC1)cn2Cc1ccoc1.
What is the InChIKey of 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine?
The InChIKey is WZAOTRHGJBEFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-15-16(14-3-7-18-8-4-14)11-20(17(15)19-6-1)10-13-5-9-21-12-13/h1-2,5-6,9,11-12,14,18H,3-4,7-8,10H2.
What are the key properties of 1-(furan-3-ylmethyl)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine?
1-(furan-3-ylmethyl)-3-piperidin-4-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)-3-piperidin-4-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 68896318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).