1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

C14H18N2O4 — CID 122083487

IUPAC1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C14H18N2O4/c1-9-5-6-10(14(18)19)8-16(9)13(17)11-4-3-7-15-12(11)20-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyPVACEVBUCVTVTM-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.42
Rot. Bonds3

About 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid

1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (PubChem CID 122083487) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
PubChem CID122083487
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid
SMILESCOc1ncccc1C(=O)N1CC(C(=O)O)CCC1C
InChIInChI=1S/C14H18N2O4/c1-9-5-6-10(14(18)19)8-16(9)13(17)11-4-3-7-15-12(11)20-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19)
InChIKeyPVACEVBUCVTVTM-UHFFFAOYSA-N
XLogP1.42
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 55259968
4-methoxy-1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 43172298
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 102737995
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249
(2-methoxy-3-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 110849089
methyl 1-(2-methoxypyridine-3-carbonyl)piperidine-2-carboxylate
CID 78925496
1-(3-amino-2-phenylpyridine-4-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122112704
methyl 1-(2-methoxypyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 43423446
(2-methoxy-3-pyridinyl)-(2-thia-5-azabicyclo[2.2.1]heptan-5-yl)methanone
CID 122270172
(2-methoxy-3-pyridinyl)-[(5S)-5-methyl-3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 172659988
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 114960651
[(3aR,4R,7S,7aS)-1,3,3a,4,5,6,7,7a-octahydro-4,7-epoxyisoindol-2-yl]-(2-methoxy-3-pyridinyl)methanone
CID 56864464

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid (CID 122083487) is 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is COc1ncccc1C(=O)N1CC(C(=O)O)CCC1C.
What is the InChIKey of 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
The InChIKey is PVACEVBUCVTVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-9-5-6-10(14(18)19)8-16(9)13(17)11-4-3-7-15-12(11)20-2/h3-4,7,9-10H,5-6,8H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid?
1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxypyridine-3-carbonyl)-6-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122083487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).