3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid

C15H19N3O2 — CID 81046783

IUPAC3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H19N3O2/c1-11(7-15(19)20)13-3-2-6-18(10-13)14-5-4-12(8-16)9-17-14/h4-5,9,11,13H,2-3,6-7,10H2,1H3,(H,19,20)
InChIKeyWRFRHXQSUAGNGO-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.28
Rot. Bonds4

About 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid

3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid (PubChem CID 81046783) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid.

Molecular Properties

Compound Name3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
PubChem CID81046783
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid
SMILESCC(CC(=O)O)C1CCCN(c2ccc(C#N)cn2)C1
InChIInChI=1S/C15H19N3O2/c1-11(7-15(19)20)13-3-2-6-18(10-13)14-5-4-12(8-16)9-17-14/h4-5,9,11,13H,2-3,6-7,10H2,1H3,(H,19,20)
InChIKeyWRFRHXQSUAGNGO-UHFFFAOYSA-N
XLogP2.28
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid?
The IUPAC name of 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid (CID 81046783) is 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid.
What is the SMILES notation for 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid?
The canonical SMILES for 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid is CC(CC(=O)O)C1CCCN(c2ccc(C#N)cn2)C1.
What is the InChIKey of 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid?
The InChIKey is WRFRHXQSUAGNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11(7-15(19)20)13-3-2-6-18(10-13)14-5-4-12(8-16)9-17-14/h4-5,9,11,13H,2-3,6-7,10H2,1H3,(H,19,20).
What are the key properties of 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid?
3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid has a molecular weight of 273.34 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-cyano-2-pyridinyl)piperidin-3-yl]butanoic acid is sourced from PubChem (CID 81046783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).