methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride

C13H19ClN2O3 — CID 131733376

IUPACmethyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccn(C2CCNCC2)c(=O)c1C.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9-11(13(17)18-2)5-8-15(12(9)16)10-3-6-14-7-4-10;/h5,8,10,14H,3-4,6-7H2,1-2H3;1H
InChIKeyUJSORGWMXGAZOV-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.29
Rot. Bonds2

About methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride

methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride (PubChem CID 131733376) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride
PubChem CID131733376
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Namemethyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride
SMILESCOC(=O)c1ccn(C2CCNCC2)c(=O)c1C.Cl
InChIInChI=1S/C13H18N2O3.ClH/c1-9-11(13(17)18-2)5-8-15(12(9)16)10-3-6-14-7-4-10;/h5,8,10,14H,3-4,6-7H2,1-2H3;1H
InChIKeyUJSORGWMXGAZOV-UHFFFAOYSA-N
XLogP1.29
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride (CID 131733376) is methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride is COC(=O)c1ccn(C2CCNCC2)c(=O)c1C.Cl.
What is the InChIKey of methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride?
The InChIKey is UJSORGWMXGAZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3.ClH/c1-9-11(13(17)18-2)5-8-15(12(9)16)10-3-6-14-7-4-10;/h5,8,10,14H,3-4,6-7H2,1-2H3;1H.
What are the key properties of methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride?
methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride has a molecular weight of 286.76 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-oxo-1-piperidin-4-ylpyridine-4-carboxylate;hydrochloride is sourced from PubChem (CID 131733376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).