3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid

C26H23F3N2O3 — CID 155553197

IUPAC3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)22-7-5-19(6-8-22)24(32)31-23-14-20(13-21(15-23)25(33)34)17-3-1-16(2-4-17)18-9-11-30-12-10-18/h1-8,13-15,18,30H,9-12H2,(H,31,32)(H,33,34)
InChIKeyTYGNPCWRPTUOPQ-UHFFFAOYSA-N
MW468.48 g/mol
LogP5.79
Rot. Bonds5

About 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid

3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid (PubChem CID 155553197) has the molecular formula C26H23F3N2O3 and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
PubChem CID155553197
Molecular FormulaC26H23F3N2O3
Molecular Weight468.48 g/mol
Exact Mass468.17
IUPAC Name3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1
InChIInChI=1S/C26H23F3N2O3/c27-26(28,29)22-7-5-19(6-8-22)24(32)31-23-14-20(13-21(15-23)25(33)34)17-3-1-16(2-4-17)18-9-11-30-12-10-18/h1-8,13-15,18,30H,9-12H2,(H,31,32)(H,33,34)
InChIKeyTYGNPCWRPTUOPQ-UHFFFAOYSA-N
XLogP5.79
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.48
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]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

Related Compounds

2-[2-[[3-[3-(Aminomethyl)phenyl]phenyl]carbonylamino]phenyl]ethanoic acid
CID 90480064
NF-56-EJ40
CID 138811017
3-[4-[(3,5-Difluorophenyl)amino]-2-({[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]amino}carbonyl)phenyl]-propanoic acid
CID 46887210
4-methyl-2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]benzoic acid
CID 132055288
4-fluoro-2-[2-[(1S,2S)-2-[[1-[4-(trifluoromethyl)phenyl]piperidine-4-carbonyl]amino]cyclopentyl]ethyl]benzoic acid
CID 132055321
3-[(4-Biphenylylcarbonyl)amino]-2-methylbenzoic acid
CID 2953735
4-[[5-[(E)-2-[3-(trifluoromethyl)phenyl]vinyl]-2-naphthyl]carbamoyl]benzoic acid
CID 6479610
4-[[[5-[(E)-2-[3-(trifluoromethyl)phenyl]vinyl]-2-naphthyl]amino]methyl]benzoic acid
CID 6479611
5,5'-[Benzene-1,3-diylbis(carbonylimino)]dibenzene-1,3-dicarboxylic acid
CID 2305961
2'-({3-[(2-Methylpropyl)carbamoyl]phenyl}carbamoyl)biphenyl-2-carboxylic acid
CID 3353161
Benzoic acid, 4-[[[3-(1-methylethyl)phenyl]amino]carbonyl]-
CID 10379087
4-[(3,5-Ditert-butylphenyl)carbamoyl]benzoic acid
CID 10450740

Frequently Asked Questions

What is the IUPAC name of 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The IUPAC name of 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid (CID 155553197) is 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid is O=C(O)c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)cc(-c2ccc(C3CCNCC3)cc2)c1.
What is the InChIKey of 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
The InChIKey is TYGNPCWRPTUOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O3/c27-26(28,29)22-7-5-19(6-8-22)24(32)31-23-14-20(13-21(15-23)25(33)34)17-3-1-16(2-4-17)18-9-11-30-12-10-18/h1-8,13-15,18,30H,9-12H2,(H,31,32)(H,33,34).
What are the key properties of 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid?
3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid has a molecular weight of 468.48 g/mol, XLogP of 5.79, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-piperidin-4-ylphenyl)-5-[[4-(trifluoromethyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 155553197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).