1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid

C16H21N3O2 — CID 63126361

IUPAC1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyPMOHTNOVZHPWEK-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.73
Rot. Bonds4

About 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid

1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 63126361) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
PubChem CID63126361
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1
InChIInChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21)
InChIKeyPMOHTNOVZHPWEK-UHFFFAOYSA-N
XLogP2.73
TPSA77.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-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-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid (CID 63126361) is 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc(C)ccc2C#N)CC1.
What is the InChIKey of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is PMOHTNOVZHPWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-6-16(15(20)21)7-9-19(10-8-16)14-13(11-17)5-4-12(2)18-14/h4-5H,3,6-10H2,1-2H3,(H,20,21).
What are the key properties of 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid?
1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 63126361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).