diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate

C16H22N2O5 — CID 3810203

IUPACdiethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCCC1
InChIInChI=1S/C16H22N2O5/c1-3-22-15(20)11-10-12(16(21)23-4-2)14(19)17-13(11)18-8-6-5-7-9-18/h10H,3-9H2,1-2H3,(H,17,19)
InChIKeyOFOPLDRIPXVXFQ-UHFFFAOYSA-N
MW322.36 g/mol
LogP1.72
Rot. Bonds5

About diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate

diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate (PubChem CID 3810203) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
PubChem CID3810203
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namediethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate
SMILESCCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCCC1
InChIInChI=1S/C16H22N2O5/c1-3-22-15(20)11-10-12(16(21)23-4-2)14(19)17-13(11)18-8-6-5-7-9-18/h10H,3-9H2,1-2H3,(H,17,19)
InChIKeyOFOPLDRIPXVXFQ-UHFFFAOYSA-N
XLogP1.72
TPSA88.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate?
The IUPAC name of diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate (CID 3810203) is diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate.
What is the SMILES notation for diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate?
The canonical SMILES for diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate is CCOC(=O)c1cc(C(=O)OCC)c(=O)[nH]c1N1CCCCC1.
What is the InChIKey of diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate?
The InChIKey is OFOPLDRIPXVXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-3-22-15(20)11-10-12(16(21)23-4-2)14(19)17-13(11)18-8-6-5-7-9-18/h10H,3-9H2,1-2H3,(H,17,19).
What are the key properties of diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate?
diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate has a molecular weight of 322.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-oxo-6-piperidin-1-yl-1H-pyridine-3,5-dicarboxylate is sourced from PubChem (CID 3810203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).