methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate

C13H16F2N2O3 — CID 137450691

IUPACmethyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(C)CC2(F)F)c1=O
InChIInChI=1S/C13H16F2N2O3/c1-16-7-5-10(13(14,15)8-16)17-6-3-4-9(11(17)18)12(19)20-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyINWZOZLLFRAILX-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.15
Rot. Bonds2

About methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate

methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate (PubChem CID 137450691) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
PubChem CID137450691
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Namemethyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(C)CC2(F)F)c1=O
InChIInChI=1S/C13H16F2N2O3/c1-16-7-5-10(13(14,15)8-16)17-6-3-4-9(11(17)18)12(19)20-2/h3-4,6,10H,5,7-8H2,1-2H3
InChIKeyINWZOZLLFRAILX-UHFFFAOYSA-N
XLogP1.15
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-[3,3-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450693
methyl 1-[(4R)-3-fluoro-1-methylpiperidin-4-yl]-2-oxopyridine-3-carboxylate
CID 137450635
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 1-[(1R,2R)-2-methoxycyclopentyl]-2-oxopyridine-3-carboxylate
CID 137457337
methyl 2-oxo-1-[(3S)-oxolan-3-yl]pyridine-3-carboxylate
CID 146327520
methyl 1-[(1S,3S)-3-hydroxycyclohexyl]-2-oxopyridine-3-carboxylate
CID 139373575
methyl 1-[(1S,3S)-3-methylcyclohexyl]-2-oxopyridine-3-carboxylate
CID 158924385
methyl 1-(3-methoxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137449925
N-cyclopropyl-5-[[1-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 137449214
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508
methyl 2-(2,2-difluorocyclopropyl)benzoate
CID 121314140

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate (CID 137450691) is methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCN(C)CC2(F)F)c1=O.
What is the InChIKey of methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The InChIKey is INWZOZLLFRAILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c1-16-7-5-10(13(14,15)8-16)17-6-3-4-9(11(17)18)12(19)20-2/h3-4,6,10H,5,7-8H2,1-2H3.
What are the key properties of methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate has a molecular weight of 286.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3,3-difluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).