6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid

C15H20N2O3 — CID 122113209

IUPAC6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(C(=O)N1CC(C(=O)O)CCC1C)c1cccnc1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-13(15(19)20)9-17(10)14(18)11(2)12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyYAKPHSWSLMYFHI-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.90
Rot. Bonds3

About 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid

6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid (PubChem CID 122113209) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
PubChem CID122113209
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid
SMILESCC(C(=O)N1CC(C(=O)O)CCC1C)c1cccnc1
InChIInChI=1S/C15H20N2O3/c1-10-5-6-13(15(19)20)9-17(10)14(18)11(2)12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20)
InChIKeyYAKPHSWSLMYFHI-UHFFFAOYSA-N
XLogP1.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-1-[(2R)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122112962
1-[2-(2,6-difluorophenyl)propanoyl]-6-methylpiperidine-3-carboxylic acid
CID 122112934
1-[2-(aminomethyl)piperidin-1-yl]-2-pyridin-3-ylpropan-1-one;dihydrochloride
CID 119466897
(3R,6S)-6-methyl-1-[2-[4-(4-pyridin-3-ylphenyl)phenyl]acetyl]piperidine-3-carboxylic acid
CID 169210792
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-pyridin-3-ylpropan-1-one
CID 119649334
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
3-(1-pyridin-3-ylethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 66030232
1-[(4-propan-2-ylphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid
CID 5009193
6-methyl-1-pyridin-3-ylsulfonylpiperidine-3-carboxylic acid
CID 122083302
6-methyl-1-(2-methyl-5-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122112872
cis-(1R,3S)-3-[[(1S)-1-pyridin-3-ylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 124674627
1-(isoquinoline-5-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113249

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid?
The IUPAC name of 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid (CID 122113209) is 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid?
The canonical SMILES for 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid is CC(C(=O)N1CC(C(=O)O)CCC1C)c1cccnc1.
What is the InChIKey of 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid?
The InChIKey is YAKPHSWSLMYFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-5-6-13(15(19)20)9-17(10)14(18)11(2)12-4-3-7-16-8-12/h3-4,7-8,10-11,13H,5-6,9H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid?
6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-pyridin-3-ylpropanoyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122113209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).