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N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

C26H23F3N2O2 — CID 46599278

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H23F3N2O2/c27-26(28,29)22-10-6-21(7-11-22)25(33)31-16-14-20(15-17-31)24(32)30-23-12-8-19(9-13-23)18-4-2-1-3-5-18/h1-13,20H,14-17H2,(H,30,32)
InChIKeyYKNXBUXIYAWKJS-UHFFFAOYSA-N
MW452.48 g/mol
LogP5.86
Rot. Bonds4

About N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide

N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (PubChem CID 46599278) has the molecular formula C26H23F3N2O2 and a molecular weight of 452.48 g/mol. Its IUPAC name is N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
PubChem CID46599278
Molecular FormulaC26H23F3N2O2
Molecular Weight452.48 g/mol
Exact Mass452.17
IUPAC NameN-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
SMILESO=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C26H23F3N2O2/c27-26(28,29)22-10-6-21(7-11-22)25(33)31-16-14-20(15-17-31)24(32)30-23-12-8-19(9-13-23)18-4-2-1-3-5-18/h1-13,20H,14-17H2,(H,30,32)
InChIKeyYKNXBUXIYAWKJS-UHFFFAOYSA-N
XLogP5.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.48
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide (CID 46599278) is N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is O=C(Nc1ccc(-c2ccccc2)cc1)C1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
The InChIKey is YKNXBUXIYAWKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N2O2/c27-26(28,29)22-10-6-21(7-11-22)25(33)31-16-14-20(15-17-31)24(32)30-23-12-8-19(9-13-23)18-4-2-1-3-5-18/h1-13,20H,14-17H2,(H,30,32).
What are the key properties of N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide?
N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide has a molecular weight of 452.48 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 46599278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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