methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate

C14H19FN2O3 — CID 137450512

IUPACmethyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C14H19FN2O3/c1-20-14(19)12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-15/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyCYWOYOBXVUJYHE-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.24
Rot. Bonds4

About methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate

methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate (PubChem CID 137450512) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate
PubChem CID137450512
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Namemethyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(C2CCN(CCF)CC2)c1=O
InChIInChI=1S/C14H19FN2O3/c1-20-14(19)12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-15/h2-3,7,11H,4-6,8-10H2,1H3
InChIKeyCYWOYOBXVUJYHE-UHFFFAOYSA-N
XLogP1.24
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate (CID 137450512) is methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(C2CCN(CCF)CC2)c1=O.
What is the InChIKey of methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate?
The InChIKey is CYWOYOBXVUJYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-20-14(19)12-3-2-7-17(13(12)18)11-4-8-16(9-5-11)10-6-15/h2-3,7,11H,4-6,8-10H2,1H3.
What are the key properties of methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate?
methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 1.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(2-fluoroethyl)piperidin-4-yl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 137450512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).