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

C13H16N2O4 — CID 107363168

IUPACmethyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-6-2-3-8-15(10)12(17)9-5-4-7-11(16)14-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyNPZLFQYOTHINJE-SNVBAGLBSA-N
MW264.28 g/mol
LogP0.54
Rot. Bonds2

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

methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate (PubChem CID 107363168) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate
PubChem CID107363168
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Namemethyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)c1cccc(=O)[nH]1
InChIInChI=1S/C13H16N2O4/c1-19-13(18)10-6-2-3-8-15(10)12(17)9-5-4-7-11(16)14-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,16)/t10-/m1/s1
InChIKeyNPZLFQYOTHINJE-SNVBAGLBSA-N
XLogP0.54
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate (CID 107363168) is methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)c1cccc(=O)[nH]1.
What is the InChIKey of methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate?
The InChIKey is NPZLFQYOTHINJE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-13(18)10-6-2-3-8-15(10)12(17)9-5-4-7-11(16)14-9/h4-5,7,10H,2-3,6,8H2,1H3,(H,14,16)/t10-/m1/s1.
What are the key properties of methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate?
methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(6-oxo-1H-pyridine-2-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 107363168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).