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

C13H17FN2O3 — CID 137450745

IUPACmethyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(C)CC2F)c1=O
InChIInChI=1S/C13H17FN2O3/c1-15-7-5-11(10(14)8-15)16-6-3-4-9(12(16)17)13(18)19-2/h3-4,6,10-11H,5,7-8H2,1-2H3
InChIKeyIFWXZNPNMCHBAV-UHFFFAOYSA-N
MW268.29 g/mol
LogP0.85
Rot. Bonds2

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

methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate (PubChem CID 137450745) has the molecular formula C13H17FN2O3 and a molecular weight of 268.29 g/mol. Its IUPAC name is methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
PubChem CID137450745
Molecular FormulaC13H17FN2O3
Molecular Weight268.29 g/mol
Exact Mass268.12
IUPAC Namemethyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(C)CC2F)c1=O
InChIInChI=1S/C13H17FN2O3/c1-15-7-5-11(10(14)8-15)16-6-3-4-9(12(16)17)13(18)19-2/h3-4,6,10-11H,5,7-8H2,1-2H3
InChIKeyIFWXZNPNMCHBAV-UHFFFAOYSA-N
XLogP0.85
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-(3-fluoro-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

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate (CID 137450745) is methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCN(C)CC2F)c1=O.
What is the InChIKey of methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
The InChIKey is IFWXZNPNMCHBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3/c1-15-7-5-11(10(14)8-15)16-6-3-4-9(12(16)17)13(18)19-2/h3-4,6,10-11H,5,7-8H2,1-2H3.
What are the key properties of methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate?
methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate has a molecular weight of 268.29 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-1-methylpiperidin-4-yl)-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).