2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid

C16H21N3O2 — CID 114765581

IUPAC2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCc1cc(C#N)cc(N2CCCC(C(C)(C)C(=O)O)C2)n1
InChIInChI=1S/C16H21N3O2/c1-11-7-12(9-17)8-14(18-11)19-6-4-5-13(10-19)16(2,3)15(20)21/h7-8,13H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyOKZOEGHRZIEIJH-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.59
Rot. Bonds3

About 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid

2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 114765581) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID114765581
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCc1cc(C#N)cc(N2CCCC(C(C)(C)C(=O)O)C2)n1
InChIInChI=1S/C16H21N3O2/c1-11-7-12(9-17)8-14(18-11)19-6-4-5-13(10-19)16(2,3)15(20)21/h7-8,13H,4-6,10H2,1-3H3,(H,20,21)
InChIKeyOKZOEGHRZIEIJH-UHFFFAOYSA-N
XLogP2.59
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136972363
2-(3-formylpiperidin-1-yl)-6-methylpyridine-4-carbonitrile
CID 114770482
2-[1-(2-cyano-4-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197733
2-[1-(4-cyano-6-methyl-2-pyridinyl)pyrrolidin-3-yl]acetic acid
CID 114765472
2-[(3R)-3-hydroxypyrrolidin-1-yl]-6-methylpyridine-4-carbonitrile
CID 104969574
2-methyl-6-(3-methylpyrrolidin-1-yl)pyridine-4-carbonitrile
CID 114765932
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
2-methyl-2-[1-(5-methylpyrimidin-2-yl)piperidin-3-yl]propanoic acid
CID 83197656
2-methyl-2-(1-pyrimidin-4-ylpiperidin-3-yl)propanoic acid
CID 83197349
N-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]acetamide
CID 114766577
2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197124
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-4-yl]oxyacetic acid
CID 114765410

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (CID 114765581) is 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is Cc1cc(C#N)cc(N2CCCC(C(C)(C)C(=O)O)C2)n1.
What is the InChIKey of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is OKZOEGHRZIEIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-7-12(9-17)8-14(18-11)19-6-4-5-13(10-19)16(2,3)15(20)21/h7-8,13H,4-6,10H2,1-3H3,(H,20,21).
What are the key properties of 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 287.36 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-cyano-6-methyl-2-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 114765581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).