ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate

C20H23N3O3 — CID 68894772

IUPACethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3
InChIKeyOROXHPJZXQVNDH-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.01
Rot. Bonds4

About ethyl 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 (PubChem CID 68894772) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
PubChem CID68894772
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1
InChIInChI=1S/C20H23N3O3/c1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3
InChIKeyOROXHPJZXQVNDH-UHFFFAOYSA-N
XLogP4.01
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate (CID 68894772) is ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(c2cn(Cc3ccoc3)c3ncccc23)CC1.
What is the InChIKey of ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate?
The InChIKey is OROXHPJZXQVNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-2-26-20(24)22-9-5-16(6-10-22)18-13-23(12-15-7-11-25-14-15)19-17(18)4-3-8-21-19/h3-4,7-8,11,13-14,16H,2,5-6,9-10,12H2,1H3.
What are the key properties of ethyl 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 has a molecular weight of 353.42 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(furan-3-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 68894772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).