2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 106742262

IUPAC2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccncc1
InChIInChI=1S/C13H16N2O3/c1-9-8-11(13(17)18)4-7-15(9)12(16)10-2-5-14-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,18)
InChIKeyMINVULGFKIBMNY-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.41
Rot. Bonds2

About 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid

2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid (PubChem CID 106742262) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
PubChem CID106742262
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1C(=O)c1ccncc1
InChIInChI=1S/C13H16N2O3/c1-9-8-11(13(17)18)4-7-15(9)12(16)10-2-5-14-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,18)
InChIKeyMINVULGFKIBMNY-UHFFFAOYSA-N
XLogP1.41
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
1-[2-(aminomethyl)pyridine-4-carbonyl]-2-methylpiperidine-4-carboxylic acid
CID 106742890
1-(6-methoxypyridine-3-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741779
2-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 106742085
1-(3-chloro-4-iodobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742259
1-(3-amino-4-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 107813364
1-(1,3-benzothiazole-6-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741825
1-(2-bromobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741861
2-methyl-1-(3-nitrobenzoyl)piperidine-4-carboxylic acid
CID 106741869
2-methyl-1-[(4-methyl-3-pyridinyl)carbamoyl]piperidine-4-carboxylic acid
CID 106744299
1-(3-bromo-5-fluorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741784
1-(5-bromopyridine-2-carbonyl)-2-methylpiperidine-4-carboxylic acid
CID 106741792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid (CID 106742262) is 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1C(=O)c1ccncc1.
What is the InChIKey of 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is MINVULGFKIBMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9-8-11(13(17)18)4-7-15(9)12(16)10-2-5-14-6-3-10/h2-3,5-6,9,11H,4,7-8H2,1H3,(H,17,18).
What are the key properties of 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid?
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 106742262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).