methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate

C13H16N2O5 — CID 43623604

IUPACmethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1
InChIInChI=1S/C13H16N2O5/c1-20-13(19)8-2-4-15(5-3-8)12(18)9-6-10(16)14-11(17)7-9/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyNJBGGUOIURKEHR-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.11
Rot. Bonds2

About methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate

methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate (PubChem CID 43623604) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
PubChem CID43623604
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Namemethyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1
InChIInChI=1S/C13H16N2O5/c1-20-13(19)8-2-4-15(5-3-8)12(18)9-6-10(16)14-11(17)7-9/h6-8H,2-5H2,1H3,(H2,14,16,17)
InChIKeyNJBGGUOIURKEHR-UHFFFAOYSA-N
XLogP0.11
TPSA99.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate (CID 43623604) is methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cc(O)[nH]c(=O)c2)CC1.
What is the InChIKey of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
The InChIKey is NJBGGUOIURKEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-20-13(19)8-2-4-15(5-3-8)12(18)9-6-10(16)14-11(17)7-9/h6-8H,2-5H2,1H3,(H2,14,16,17).
What are the key properties of methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate?
methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 43623604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).