3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid

C24H23N3O3 — CID 155564566

IUPAC3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C24H23N3O3/c28-23(19-7-11-26-12-8-19)27-22-14-20(13-21(15-22)24(29)30)17-3-1-16(2-4-17)18-5-9-25-10-6-18/h1-4,7-8,11-15,18,25H,5-6,9-10H2,(H,27,28)(H,29,30)
InChIKeyFJEFSXQLZKHOJS-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.17
Rot. Bonds5

About 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid

3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid (PubChem CID 155564566) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid
PubChem CID155564566
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C24H23N3O3/c28-23(19-7-11-26-12-8-19)27-22-14-20(13-21(15-22)24(29)30)17-3-1-16(2-4-17)18-5-9-25-10-6-18/h1-4,7-8,11-15,18,25H,5-6,9-10H2,(H,27,28)(H,29,30)
InChIKeyFJEFSXQLZKHOJS-UHFFFAOYSA-N
XLogP4.17
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic 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 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid (CID 155564566) is 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid is O=C(O)c1cc(NC(=O)c2ccncc2)cc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid?
The InChIKey is FJEFSXQLZKHOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c28-23(19-7-11-26-12-8-19)27-22-14-20(13-21(15-22)24(29)30)17-3-1-16(2-4-17)18-5-9-25-10-6-18/h1-4,7-8,11-15,18,25H,5-6,9-10H2,(H,27,28)(H,29,30).
What are the key properties of 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid?
3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid has a molecular weight of 401.47 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)-5-(pyridine-4-carbonylamino)benzoic acid is sourced from PubChem (CID 155564566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).