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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Related Compounds

tert-butyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate;ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
CID 158982921
3-piperidin-4-yl-1-sulfanylpyrrolo[2,3-b]pyridine
CID 70828647
1-(furan-3-ylmethyl)-2-piperidin-3-ylpyrrolo[2,3-b]pyridine
CID 68897805
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine
CID 66509747
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyridine;dihydrochloride
CID 71298711
2-[2-[4-[1-(furan-2-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidin-1-yl]ethoxy]benzoic acid
CID 10195049
(3-piperidin-4-yl-2-pyridinyl)methanamine
CID 152769821
(2Z)-2-[(1-benzylpyrrolo[2,3-b]pyridin-3-yl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 155808877
[1-(1,2-oxazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 66416460
N-butoxy-4-[(4-piperidin-4-ylpyrrolo[2,3-b]pyridin-1-yl)methyl]benzamide
CID 118148391
1-[(4-methylphenyl)methyl]-3-pyrrolidin-3-ylindole
CID 84612315
2-piperidin-4-yl-3-(pyrrolidin-1-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 92571670

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).