4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid

C20H18F3NO4 — CID 45433546

IUPAC4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)28-16-8-6-14(7-9-16)17(25)24-12-10-19(11-13-24,18(26)27)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,26,27)
InChIKeyBFAMIKXILJYLNV-UHFFFAOYSA-N
MW393.36 g/mol
LogP3.84
Rot. Bonds4

About 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid

4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid (PubChem CID 45433546) has the molecular formula C20H18F3NO4 and a molecular weight of 393.36 g/mol. Its IUPAC name is 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
PubChem CID45433546
Molecular FormulaC20H18F3NO4
Molecular Weight393.36 g/mol
Exact Mass393.12
IUPAC Name4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
SMILESO=C(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1
InChIInChI=1S/C20H18F3NO4/c21-20(22,23)28-16-8-6-14(7-9-16)17(25)24-12-10-19(11-13-24,18(26)27)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,26,27)
InChIKeyBFAMIKXILJYLNV-UHFFFAOYSA-N
XLogP3.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-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

1-(4-methoxybenzoyl)-4-phenylpiperidine-4-carboxylic acid
CID 22240655
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
(4-hydroxy-4-methylpiperidin-1-yl)-[4-(trifluoromethoxy)phenyl]methanone
CID 80701731
(3R)-3-methyl-1-[4-(trifluoromethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 124692692
1-[4-(4-acetylphenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68513246
4-phenyl-1-(4-pyrrol-1-ylbenzoyl)piperidine-4-carboxylic acid
CID 45338237
4-phenyl-1-(4-propan-2-ylbenzoyl)piperidine-4-carboxylic acid
CID 45433205
4-phenyl-1-[4-(1,2,4-triazol-4-yl)benzoyl]piperidine-4-carboxylic acid
CID 71065837
1-[4-(3,4-dichlorophenyl)benzoyl]-4-phenylpiperidine-4-carboxylic acid
CID 68508237
[4-(3-fluorobenzoyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 32522141
4-hydroxy-1-[3-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid
CID 120528203
[4-(2-methylphenyl)piperazin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 40676851

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid (CID 45433546) is 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid is O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(C(=O)O)(c2ccccc2)CC1.
What is the InChIKey of 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
The InChIKey is BFAMIKXILJYLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3NO4/c21-20(22,23)28-16-8-6-14(7-9-16)17(25)24-12-10-19(11-13-24,18(26)27)15-4-2-1-3-5-15/h1-9H,10-13H2,(H,26,27).
What are the key properties of 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid?
4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid has a molecular weight of 393.36 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(trifluoromethoxy)benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 45433546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).