[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate

C14H19NO4 — CID 3693241

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-10-5-3-6-11(2)15(10)13(16)9-19-14(17)12-7-4-8-18-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCSBRGYBIBRNSDR-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate (PubChem CID 3693241) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate
PubChem CID3693241
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-10-5-3-6-11(2)15(10)13(16)9-19-14(17)12-7-4-8-18-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3
InChIKeyCSBRGYBIBRNSDR-UHFFFAOYSA-N
XLogP2.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate (CID 3693241) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)c1ccco1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate?
The InChIKey is CSBRGYBIBRNSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-10-5-3-6-11(2)15(10)13(16)9-19-14(17)12-7-4-8-18-12/h4,7-8,10-11H,3,5-6,9H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] furan-2-carboxylate is sourced from PubChem (CID 3693241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).