2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid

C20H20N2O3 — CID 166282905

IUPAC2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C=C/c2ccccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20N2O3/c23-19(22-12-4-1-5-13-22)18-7-3-2-6-15(18)8-9-17-14-16(20(24)25)10-11-21-17/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)/b9-8+
InChIKeyACWBSZXSFVKYFK-CMDGGOBGSA-N
MW336.39 g/mol
LogP3.58
Rot. Bonds4

About 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid

2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid (PubChem CID 166282905) has the molecular formula C20H20N2O3 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid
PubChem CID166282905
Molecular FormulaC20H20N2O3
Molecular Weight336.39 g/mol
Exact Mass336.15
IUPAC Name2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(/C=C/c2ccccc2C(=O)N2CCCCC2)c1
InChIInChI=1S/C20H20N2O3/c23-19(22-12-4-1-5-13-22)18-7-3-2-6-15(18)8-9-17-14-16(20(24)25)10-11-21-17/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)/b9-8+
InChIKeyACWBSZXSFVKYFK-CMDGGOBGSA-N
XLogP3.58
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-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

Related Compounds

2-(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;nickel;(2-oxoniocarbonylbenzoyl)oxidanium
CID 59748498
phenyl-[4-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperazin-1-yl]methanone
CID 78806153
(E)-3-[4-(piperidine-1-carbonyl)-3-pyridinyl]prop-2-enoic acid
CID 66472882
3-(azetidine-1-carbonyl)benzoic acid
CID 127019188
[2-(azepane-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080392
2-(piperidine-1-carbonyl)phenolate
CID 101121314
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
azepan-1-yl-(2-tert-butyl-4-pyridinyl)methanone
CID 4731353
N-phenyl-4-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081096
phenyl(piperidin-1-yl)methanone;sulfuryl dichloride
CID 174601511
(2-phenylpyrimidin-5-yl)-piperidin-1-ylmethanone
CID 2229074
[2-[(E)-2-cyclohexylethenyl]-4-pyridinyl]-morpholin-4-ylmethanone
CID 74237192

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid (CID 166282905) is 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(/C=C/c2ccccc2C(=O)N2CCCCC2)c1.
What is the InChIKey of 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid?
The InChIKey is ACWBSZXSFVKYFK-CMDGGOBGSA-N. The full InChI is InChI=1S/C20H20N2O3/c23-19(22-12-4-1-5-13-22)18-7-3-2-6-15(18)8-9-17-14-16(20(24)25)10-11-21-17/h2-3,6-11,14H,1,4-5,12-13H2,(H,24,25)/b9-8+.
What are the key properties of 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid?
2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid has a molecular weight of 336.39 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[2-(piperidine-1-carbonyl)phenyl]ethenyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 166282905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).