N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide

C26H25F3N2O2 — CID 25222771

IUPACN-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1)C1CCNCC1
InChIInChI=1S/C26H25F3N2O2/c27-26(28,29)22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-33-24-3-1-2-23(16-24)31-25(32)21-12-14-30-15-13-21/h1-11,16,21,30H,12-15,17H2,(H,31,32)
InChIKeyQELBGEXDPPNPIG-UHFFFAOYSA-N
MW454.49 g/mol
LogP5.89
Rot. Bonds6

About N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide

N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide (PubChem CID 25222771) has the molecular formula C26H25F3N2O2 and a molecular weight of 454.49 g/mol. Its IUPAC name is N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide
PubChem CID25222771
Molecular FormulaC26H25F3N2O2
Molecular Weight454.49 g/mol
Exact Mass454.19
IUPAC NameN-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1)C1CCNCC1
InChIInChI=1S/C26H25F3N2O2/c27-26(28,29)22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-33-24-3-1-2-23(16-24)31-25(32)21-12-14-30-15-13-21/h1-11,16,21,30H,12-15,17H2,(H,31,32)
InChIKeyQELBGEXDPPNPIG-UHFFFAOYSA-N
XLogP5.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.49
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide 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 N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide (CID 25222771) is N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(OCc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)c1)C1CCNCC1.
What is the InChIKey of N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide?
The InChIKey is QELBGEXDPPNPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N2O2/c27-26(28,29)22-10-8-20(9-11-22)19-6-4-18(5-7-19)17-33-24-3-1-2-23(16-24)31-25(32)21-12-14-30-15-13-21/h1-11,16,21,30H,12-15,17H2,(H,31,32).
What are the key properties of N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide?
N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide has a molecular weight of 454.49 g/mol, XLogP of 5.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 25222771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).