2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid

C13H15N3O2 — CID 113320477

IUPAC2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
SMILESN#Cc1ccc(N2CCCC(CC(=O)O)C2)cn1
InChIInChI=1S/C13H15N3O2/c14-7-11-3-4-12(8-15-11)16-5-1-2-10(9-16)6-13(17)18/h3-4,8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyCZLUNHMQKAWMNJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.64
Rot. Bonds3

About 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid

2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid (PubChem CID 113320477) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
PubChem CID113320477
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid
SMILESN#Cc1ccc(N2CCCC(CC(=O)O)C2)cn1
InChIInChI=1S/C13H15N3O2/c14-7-11-3-4-12(8-15-11)16-5-1-2-10(9-16)6-13(17)18/h3-4,8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyCZLUNHMQKAWMNJ-UHFFFAOYSA-N
XLogP1.64
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid (CID 113320477) is 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid is N#Cc1ccc(N2CCCC(CC(=O)O)C2)cn1.
What is the InChIKey of 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid?
The InChIKey is CZLUNHMQKAWMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c14-7-11-3-4-12(8-15-11)16-5-1-2-10(9-16)6-13(17)18/h3-4,8,10H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid?
2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid has a molecular weight of 245.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-cyano-3-pyridinyl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 113320477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).