methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate

C13H16N2O3 — CID 115280040

IUPACmethyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)11-6-2-3-8-15(11)12(16)10-5-4-7-14-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyICHIQGGTROXPRJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.25
Rot. Bonds2

About methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate

methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 115280040) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID115280040
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Namemethyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C13H16N2O3/c1-18-13(17)11-6-2-3-8-15(11)12(16)10-5-4-7-14-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3
InChIKeyICHIQGGTROXPRJ-UHFFFAOYSA-N
XLogP1.25
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(2-oxo-2-pyridin-3-ylacetyl)pyrrolidine-2-carboxylate
CID 101432816
methyl (2R)-1-(pyridazine-4-carbonyl)piperidine-2-carboxylate
CID 103867070
methyl (2R)-1-(pyrimidine-5-carbonyl)piperidine-2-carboxylate
CID 104626640
methyl (2S,4R)-4-hydroxy-1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 133137955
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
methyl 1-(cyclopentanecarbonyl)-4-(pyridine-3-carbonyl)piperazine-2-carboxylate
CID 44783659
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
(4-methylpiperidin-1-yl)-[1-(pyridine-3-carbonyl)piperidin-2-yl]methanone
CID 119032862
methyl (2R)-1-(pyrazine-2-carbonyl)piperidine-2-carboxylate
CID 79833939
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
methyl 1-(3-methylbenzoyl)piperidine-2-carboxylate
CID 51076028
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456

Frequently Asked Questions

What is the IUPAC name of methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate (CID 115280040) is methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is ICHIQGGTROXPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-18-13(17)11-6-2-3-8-15(11)12(16)10-5-4-7-14-9-10/h4-5,7,9,11H,2-3,6,8H2,1H3.
What are the key properties of methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate?
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 248.28 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 115280040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).