1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid

C13H16N2O3 — CID 66656112

IUPAC1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyGRGVWWUIVLFGEF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.59
Rot. Bonds3

About 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid

1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid (PubChem CID 66656112) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
PubChem CID66656112
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
SMILESCC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1
InChIInChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18)
InChIKeyGRGVWWUIVLFGEF-UHFFFAOYSA-N
XLogP1.59
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-carboxypiperidin-1-yl)pyridine-3-carboxylic acid
CID 71212709
ethyl 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylate
CID 66656004
1-[6-(3,4-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 115886198
1-(5-hydroxy-2-pyridinyl)piperidine-4-carboxylic acid
CID 67234813
1-(5-chloro-2-pyridinyl)piperidine-4-carboxylic acid
CID 16787048
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
6-[4-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43586285
1-(6-methyl-3-pyridinyl)ethanone;piperazine;1-(6-piperazin-1-yl-3-pyridinyl)ethanone
CID 160768600
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
6-piperidin-1-ylpyridine-3-carboxylic acid
CID 2794761
1-[5-(dimethylsulfamoyl)-2-pyridinyl]piperidine-4-carboxylic acid
CID 103340811
6-(4-methylsulfanylazepan-1-yl)pyridine-3-carboxylic acid
CID 114237506

Frequently Asked Questions

What is the IUPAC name of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid (CID 66656112) is 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid is CC(=O)c1ccc(N2CCC(C(=O)O)CC2)nc1.
What is the InChIKey of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
The InChIKey is GRGVWWUIVLFGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-9(16)11-2-3-12(14-8-11)15-6-4-10(5-7-15)13(17)18/h2-3,8,10H,4-7H2,1H3,(H,17,18).
What are the key properties of 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid?
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 66656112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).