diethyl 6-oxopiperidine-3,4-dicarboxylate

C11H17NO5 — CID 10466941

IUPACdiethyl 6-oxopiperidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CNC(=O)CC1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyUQEOQUSKESWWGY-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.14
Rot. Bonds4

About diethyl 6-oxopiperidine-3,4-dicarboxylate

diethyl 6-oxopiperidine-3,4-dicarboxylate (PubChem CID 10466941) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is diethyl 6-oxopiperidine-3,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-oxopiperidine-3,4-dicarboxylate
PubChem CID10466941
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namediethyl 6-oxopiperidine-3,4-dicarboxylate
SMILESCCOC(=O)C1CNC(=O)CC1C(=O)OCC
InChIInChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyUQEOQUSKESWWGY-UHFFFAOYSA-N
XLogP-0.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 6-oxopiperidine-3,4-dicarboxylate?
The IUPAC name of diethyl 6-oxopiperidine-3,4-dicarboxylate (CID 10466941) is diethyl 6-oxopiperidine-3,4-dicarboxylate.
What is the SMILES notation for diethyl 6-oxopiperidine-3,4-dicarboxylate?
The canonical SMILES for diethyl 6-oxopiperidine-3,4-dicarboxylate is CCOC(=O)C1CNC(=O)CC1C(=O)OCC.
What is the InChIKey of diethyl 6-oxopiperidine-3,4-dicarboxylate?
The InChIKey is UQEOQUSKESWWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-16-10(14)7-5-9(13)12-6-8(7)11(15)17-4-2/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of diethyl 6-oxopiperidine-3,4-dicarboxylate?
diethyl 6-oxopiperidine-3,4-dicarboxylate has a molecular weight of 243.26 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-oxopiperidine-3,4-dicarboxylate is sourced from PubChem (CID 10466941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).