1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid

C13H15N3O2 — CID 106742720

IUPAC1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1cccc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-9-7-10(13(17)18)5-6-16(9)12-4-2-3-11(8-14)15-12/h2-4,9-10H,5-7H2,1H3,(H,17,18)
InChIKeyFRYIKWWMLPXHNT-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.64
Rot. Bonds2

About 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid

1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid (PubChem CID 106742720) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
PubChem CID106742720
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid
SMILESCC1CC(C(=O)O)CCN1c1cccc(C#N)n1
InChIInChI=1S/C13H15N3O2/c1-9-7-10(13(17)18)5-6-16(9)12-4-2-3-11(8-14)15-12/h2-4,9-10H,5-7H2,1H3,(H,17,18)
InChIKeyFRYIKWWMLPXHNT-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic 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 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid (CID 106742720) is 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid is CC1CC(C(=O)O)CCN1c1cccc(C#N)n1.
What is the InChIKey of 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
The InChIKey is FRYIKWWMLPXHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-10(13(17)18)5-6-16(9)12-4-2-3-11(8-14)15-12/h2-4,9-10H,5-7H2,1H3,(H,17,18).
What are the key properties of 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid?
1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-2-pyridinyl)-2-methylpiperidine-4-carboxylic acid is sourced from PubChem (CID 106742720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).