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

C14H18N2O4 — CID 78925496

IUPACmethyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1OC
InChIInChI=1S/C14H18N2O4/c1-19-12-10(6-5-8-15-12)13(17)16-9-4-3-7-11(16)14(18)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyLVQJMLBTTUUZAI-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.26
Rot. Bonds3

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

methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate (PubChem CID 78925496) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
PubChem CID78925496
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Namemethyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)c1cccnc1OC
InChIInChI=1S/C14H18N2O4/c1-19-12-10(6-5-8-15-12)13(17)16-9-4-3-7-11(16)14(18)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3
InChIKeyLVQJMLBTTUUZAI-UHFFFAOYSA-N
XLogP1.26
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
methyl 1-(2-methylsulfanylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280081
methyl 1-[2-(methylamino)benzoyl]piperidine-2-carboxylate
CID 61377854
methyl 1-(2-chlorobenzoyl)piperidine-2-carboxylate
CID 115280036
methyl (2S)-1-(2-cyanopyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 134845489
(2R)-N-[3-(3-methoxyphenyl)phenyl]-1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxamide
CID 42393535
methyl 1-(pyridine-3-carbonyl)piperidine-2-carboxylate
CID 115280040
ethyl 1-(2-methylpyridine-3-carbonyl)piperidine-2-carboxylate
CID 21255125
1-(2-hydroxybenzoyl)-N-[(2-methoxy-3-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 75415776
methyl 1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 80975676
methyl (2R)-1-(3-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 81002507
methyl 1-(2,3-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 43410027

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate (CID 78925496) is methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)c1cccnc1OC.
What is the InChIKey of methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate?
The InChIKey is LVQJMLBTTUUZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-19-12-10(6-5-8-15-12)13(17)16-9-4-3-7-11(16)14(18)20-2/h5-6,8,11H,3-4,7,9H2,1-2H3.
What are the key properties of methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate?
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate is sourced from PubChem (CID 78925496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).