[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

C16H23NO4 — CID 2999073

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1
InChIInChI=1S/C16H23NO4/c1-10-6-5-7-11(2)17(10)15(18)9-20-16(19)14-8-12(3)21-13(14)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyPXXMGPRGFYCUSR-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.84
Rot. Bonds3

About [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (PubChem CID 2999073) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
PubChem CID2999073
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
SMILESCc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1
InChIInChI=1S/C16H23NO4/c1-10-6-5-7-11(2)17(10)15(18)9-20-16(19)14-8-12(3)21-13(14)4/h8,10-11H,5-7,9H2,1-4H3
InChIKeyPXXMGPRGFYCUSR-UHFFFAOYSA-N
XLogP2.84
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.84
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] 2,5-dimethylfuran-3-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate (CID 2999073) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate is Cc1cc(C(=O)OCC(=O)N2C(C)CCCC2C)c(C)o1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
The InChIKey is PXXMGPRGFYCUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-10-6-5-7-11(2)17(10)15(18)9-20-16(19)14-8-12(3)21-13(14)4/h8,10-11H,5-7,9H2,1-4H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate has a molecular weight of 293.36 g/mol, XLogP of 2.84, 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] 2,5-dimethylfuran-3-carboxylate is sourced from PubChem (CID 2999073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).