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

C15H19N3O2 — CID 83197124

IUPAC2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2cnccc2C#N)C1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-4-3-7-18(10-12)13-9-17-6-5-11(13)8-16/h5-6,9,12H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyNHIOKHBPLXPPGL-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds3

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

2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (PubChem CID 83197124) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
PubChem CID83197124
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)C1CCCN(c2cnccc2C#N)C1
InChIInChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-4-3-7-18(10-12)13-9-17-6-5-11(13)8-16/h5-6,9,12H,3-4,7,10H2,1-2H3,(H,19,20)
InChIKeyNHIOKHBPLXPPGL-UHFFFAOYSA-N
XLogP2.28
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The IUPAC name of 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid (CID 83197124) is 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The canonical SMILES for 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is CC(C)(C(=O)O)C1CCCN(c2cnccc2C#N)C1.
What is the InChIKey of 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
The InChIKey is NHIOKHBPLXPPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-15(2,14(19)20)12-4-3-7-18(10-12)13-9-17-6-5-11(13)8-16/h5-6,9,12H,3-4,7,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid?
2-[1-(4-cyano-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.28, 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-3-pyridinyl)piperidin-3-yl]-2-methylpropanoic acid is sourced from PubChem (CID 83197124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).