3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one

C15H17NO3 — CID 2854802

IUPAC3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one
SMILESCCC1C(=O)CC(c2ccco2)NC1c1ccco1
InChIInChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3
InChIKeyRGNPXEMHSDVXIB-UHFFFAOYSA-N
MW259.30 g/mol
LogP3.24
Rot. Bonds3

About 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one

3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one (PubChem CID 2854802) has the molecular formula C15H17NO3 and a molecular weight of 259.30 g/mol. Its IUPAC name is 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one
PubChem CID2854802
Molecular FormulaC15H17NO3
Molecular Weight259.30 g/mol
Exact Mass259.12
IUPAC Name3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one
SMILESCCC1C(=O)CC(c2ccco2)NC1c1ccco1
InChIInChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3
InChIKeyRGNPXEMHSDVXIB-UHFFFAOYSA-N
XLogP3.24
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one?
The IUPAC name of 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one (CID 2854802) is 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one.
What is the SMILES notation for 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one?
The canonical SMILES for 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one is CCC1C(=O)CC(c2ccco2)NC1c1ccco1.
What is the InChIKey of 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one?
The InChIKey is RGNPXEMHSDVXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-2-10-12(17)9-11(13-5-3-7-18-13)16-15(10)14-6-4-8-19-14/h3-8,10-11,15-16H,2,9H2,1H3.
What are the key properties of 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one?
3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one has a molecular weight of 259.30 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2,6-bis(furan-2-yl)piperidin-4-one is sourced from PubChem (CID 2854802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).