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

C14H18BrNO4 — CID 4021760

IUPAC[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H18BrNO4/c1-9-4-3-5-10(2)16(9)13(17)8-19-14(18)11-6-7-12(15)20-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyHMIBJGDYBFNENT-UHFFFAOYSA-N
MW344.21 g/mol
LogP2.99
Rot. Bonds3

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

[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate (PubChem CID 4021760) has the molecular formula C14H18BrNO4 and a molecular weight of 344.21 g/mol. Its IUPAC name is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
PubChem CID4021760
Molecular FormulaC14H18BrNO4
Molecular Weight344.21 g/mol
Exact Mass343.04
IUPAC Name[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate
SMILESCC1CCCC(C)N1C(=O)COC(=O)c1ccc(Br)o1
InChIInChI=1S/C14H18BrNO4/c1-9-4-3-5-10(2)16(9)13(17)8-19-14(18)11-6-7-12(15)20-11/h6-7,9-10H,3-5,8H2,1-2H3
InChIKeyHMIBJGDYBFNENT-UHFFFAOYSA-N
XLogP2.99
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 52.99
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] 5-bromofuran-2-carboxylate?
The IUPAC name of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate (CID 4021760) is [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate.
What is the SMILES notation for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The canonical SMILES for [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate is CC1CCCC(C)N1C(=O)COC(=O)c1ccc(Br)o1.
What is the InChIKey of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
The InChIKey is HMIBJGDYBFNENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO4/c1-9-4-3-5-10(2)16(9)13(17)8-19-14(18)11-6-7-12(15)20-11/h6-7,9-10H,3-5,8H2,1-2H3.
What are the key properties of [2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate?
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] 5-bromofuran-2-carboxylate has a molecular weight of 344.21 g/mol, XLogP of 2.99, 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] 5-bromofuran-2-carboxylate is sourced from PubChem (CID 4021760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).