2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid

C25H24N2O4 — CID 11429967

IUPAC2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)
InChIKeyHENQJQYUAKRHQU-UHFFFAOYSA-N
MW416.48 g/mol
LogP5.42
Rot. Bonds6

About 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid

2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid (PubChem CID 11429967) has the molecular formula C25H24N2O4 and a molecular weight of 416.48 g/mol. Its IUPAC name is 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid
PubChem CID11429967
Molecular FormulaC25H24N2O4
Molecular Weight416.48 g/mol
Exact Mass416.17
IUPAC Name2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid
SMILESO=C(Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1
InChIInChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30)
InChIKeyHENQJQYUAKRHQU-UHFFFAOYSA-N
XLogP5.42
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]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 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid?
The IUPAC name of 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid (CID 11429967) is 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid?
The canonical SMILES for 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid is O=C(Nc1ccccc1C(=O)O)c1ccc(N2CCCCC2)c(Oc2ccccc2)c1.
What is the InChIKey of 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid?
The InChIKey is HENQJQYUAKRHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O4/c28-24(26-21-12-6-5-11-20(21)25(29)30)18-13-14-22(27-15-7-2-8-16-27)23(17-18)31-19-9-3-1-4-10-19/h1,3-6,9-14,17H,2,7-8,15-16H2,(H,26,28)(H,29,30).
What are the key properties of 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid?
2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid has a molecular weight of 416.48 g/mol, XLogP of 5.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-phenoxy-4-piperidin-1-ylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 11429967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).