methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate

C13H16N2O3 — CID 169097481

IUPACmethyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCCC2=O)n1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)11-6-4-5-10(14-11)9-15-8-3-2-7-12(15)16/h4-6H,2-3,7-9H2,1H3
InChIKeySGDDOWIWOKNLNX-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.38
Rot. Bonds3

About methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate

methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate (PubChem CID 169097481) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
PubChem CID169097481
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCCCC2=O)n1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)11-6-4-5-10(14-11)9-15-8-3-2-7-12(15)16/h4-6H,2-3,7-9H2,1H3
InChIKeySGDDOWIWOKNLNX-UHFFFAOYSA-N
XLogP1.38
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-[(4-methylpiperazin-1-yl)methyl]pyridine-2-carboxylate
CID 59290933
methyl 6-[[2-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905069
methyl 6-[(3-hydroxyazetidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905265
methyl 6-(iodomethyl)pyridine-2-carboxylate
CID 66524325
methyl 6-[(3-amino-4-methylpyrrolidin-1-yl)methyl]pyridine-2-carboxylate
CID 106905151
methyl 6-ethylpyridine-2-carboxylate;propane
CID 142320367
methyl 6-(methoxymethyl)pyridine-2-carboxylate
CID 58850086
methyl 6-(2-hydroxyethyl)pyridine-2-carboxylate
CID 55267203
N-[(6-methyl-2-pyridinyl)methyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 86824300
methyl 6-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]pyridine-2-carboxylate
CID 106905300
methyl 2-fluoro-4-[(2-oxopiperidin-1-yl)methyl]benzoate
CID 106698789
methyl 3-[[2-(2-oxoazepan-1-yl)acetyl]amino]benzoate
CID 31321337

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate (CID 169097481) is methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCCCC2=O)n1.
What is the InChIKey of methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate?
The InChIKey is SGDDOWIWOKNLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)11-6-4-5-10(14-11)9-15-8-3-2-7-12(15)16/h4-6H,2-3,7-9H2,1H3.
What are the key properties of methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate?
methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-oxopiperidin-1-yl)methyl]pyridine-2-carboxylate is sourced from PubChem (CID 169097481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).