methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate

C13H15FN2O3 — CID 113256468

IUPACmethyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)11-4-2-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3
InChIKeyKWMOOASHCYACBY-UHFFFAOYSA-N
MW266.27 g/mol
LogP1.39
Rot. Bonds2

About methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate

methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 113256468) has the molecular formula C13H15FN2O3 and a molecular weight of 266.27 g/mol. Its IUPAC name is methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID113256468
Molecular FormulaC13H15FN2O3
Molecular Weight266.27 g/mol
Exact Mass266.11
IUPAC Namemethyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cncc(F)c1
InChIInChI=1S/C13H15FN2O3/c1-19-13(18)11-4-2-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3
InChIKeyKWMOOASHCYACBY-UHFFFAOYSA-N
XLogP1.39
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
ethyl 1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115900329
tert-butyl (2R)-1-(5-fluoropyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 103774541
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl 1-(2-fluoropyridine-4-carbonyl)piperidine-2-carboxylate
CID 61295467
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate (CID 113256468) is methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cncc(F)c1.
What is the InChIKey of methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is KWMOOASHCYACBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3/c1-19-13(18)11-4-2-3-5-16(11)12(17)9-6-10(14)8-15-7-9/h6-8,11H,2-5H2,1H3.
What are the key properties of methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate?
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 266.27 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 113256468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).