1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid

C13H15N3O2 — CID 122051050

IUPAC1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)cc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-9-5-12(6-11(7-14)15-9)16-4-2-3-10(8-16)13(17)18/h5-6,10H,2-4,8H2,1H3,(H,17,18)
InChIKeyLPFJGIYDOZBNKM-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.56
Rot. Bonds2

About 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid

1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid (PubChem CID 122051050) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
PubChem CID122051050
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid
SMILESCc1cc(N2CCCC(C(=O)O)C2)cc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-9-5-12(6-11(7-14)15-9)16-4-2-3-10(8-16)13(17)18/h5-6,10H,2-4,8H2,1H3,(H,17,18)
InChIKeyLPFJGIYDOZBNKM-UHFFFAOYSA-N
XLogP1.56
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylpiperidin-1-yl)-6-methylpyrimidine-4-carbonitrile
CID 107548775
methyl 1-(2,6-dimethyl-4-pyridinyl)piperidine-3-carboxylate
CID 114272253
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
(3S,4S)-1-(2-cyano-6-methyl-4-pyridinyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122063693
1-(2-methoxy-6-methylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 122051160
1-(4-methoxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 112634329
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
1-(3,4-dimethoxyphenyl)piperidine-3-carboxylic acid
CID 82537806
1-(4-cyano-2,6-difluorophenyl)piperidine-3-carboxylic acid
CID 81293301
(3R)-1-(4-methyl-1,3-thiazol-2-yl)piperidine-3-carboxylic acid
CID 30078408
(3S)-1-(6-methoxypyridazin-4-yl)piperidine-3-carboxylic acid
CID 126422446
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid (CID 122051050) is 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid is Cc1cc(N2CCCC(C(=O)O)C2)cc(C#N)n1.
What is the InChIKey of 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
The InChIKey is LPFJGIYDOZBNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-5-12(6-11(7-14)15-9)16-4-2-3-10(8-16)13(17)18/h5-6,10H,2-4,8H2,1H3,(H,17,18).
What are the key properties of 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid?
1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyano-6-methyl-4-pyridinyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122051050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).