(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid

C13H16N2O4 — CID 79034423

IUPAC(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C13H16N2O4/c1-19-11-6-5-9(8-14-11)12(16)15-7-3-2-4-10(15)13(17)18/h5-6,8,10H,2-4,7H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyPSTFJRPENLHFLE-SNVBAGLBSA-N
MW264.28 g/mol
LogP1.17
Rot. Bonds3

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

(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 79034423) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID79034423
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid
SMILESCOc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1
InChIInChI=1S/C13H16N2O4/c1-19-11-6-5-9(8-14-11)12(16)15-7-3-2-4-10(15)13(17)18/h5-6,8,10H,2-4,7H2,1H3,(H,17,18)/t10-/m1/s1
InChIKeyPSTFJRPENLHFLE-SNVBAGLBSA-N
XLogP1.17
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
(2R)-1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120537319
(2R)-1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371097
1-[6-(azepan-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119356013
methyl (2R)-1-(6-bromopyridine-3-carbonyl)piperidine-2-carboxylate
CID 79833179
1-[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazole-3-carbonyl]piperidine-2-carboxylic acid
CID 23090254
methyl 1-[6-(oxan-4-yloxy)pyridine-3-carbonyl]piperidine-2-carboxylate
CID 91815364
(2S)-1-(6-carbamoylpyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 125147875
(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
(2S)-1-[6-(4-methylpiperidin-1-yl)pyridine-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119366174
2-(6-methoxypyridine-3-carbonyl)-9-methyl-2,9-diazabicyclo[9.3.0]tetradecan-10-one
CID 156611676
1-(5-carbamoylpyridine-2-carbonyl)piperidine-2-carboxylic acid
CID 119137717

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid (CID 79034423) is (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid is COc1ccc(C(=O)N2CCCC[C@@H]2C(=O)O)cn1.
What is the InChIKey of (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is PSTFJRPENLHFLE-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-19-11-6-5-9(8-14-11)12(16)15-7-3-2-4-10(15)13(17)18/h5-6,8,10H,2-4,7H2,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-methoxypyridine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 79034423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).