4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C25H24F3N5O3 — CID 58899714

IUPAC4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1
InChIInChI=1S/C25H24F3N5O3/c1-31(20-10-12-29-13-11-20)19-8-6-18(7-9-19)23(34)32-14-16-33(17-15-32)24(35)30-21-4-2-3-5-22(21)36-25(26,27)28/h2-13H,14-17H2,1H3,(H,30,35)
InChIKeyZAKCVFHYRIWNCY-UHFFFAOYSA-N
MW499.49 g/mol
LogP4.74
Rot. Bonds5

About 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 58899714) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID58899714
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESCN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1
InChIInChI=1S/C25H24F3N5O3/c1-31(20-10-12-29-13-11-20)19-8-6-18(7-9-19)23(34)32-14-16-33(17-15-32)24(35)30-21-4-2-3-5-22(21)36-25(26,27)28/h2-13H,14-17H2,1H3,(H,30,35)
InChIKeyZAKCVFHYRIWNCY-UHFFFAOYSA-N
XLogP4.74
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide 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

4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-(2-methylsulfanylphenyl)piperazine-1-carboxamide
CID 58899705
N-(2-fluoro-5-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899757
N-(4-acetylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899814
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
N-(2-chloro-4-methylphenyl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 143496573
N-(9H-fluoren-9-yl)-4-[4-[methyl(pyridin-4-yl)amino]benzoyl]piperazine-1-carboxamide
CID 58899819
4-(4-methoxyphenyl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3742709
4-benzoyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112825360
4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122337678
4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122340812
4-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 122339942
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493

Frequently Asked Questions

What is the IUPAC name of 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 58899714) is 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is CN(c1ccncc1)c1ccc(C(=O)N2CCN(C(=O)Nc3ccccc3OC(F)(F)F)CC2)cc1.
What is the InChIKey of 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is ZAKCVFHYRIWNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-31(20-10-12-29-13-11-20)19-8-6-18(7-9-19)23(34)32-14-16-33(17-15-32)24(35)30-21-4-2-3-5-22(21)36-25(26,27)28/h2-13H,14-17H2,1H3,(H,30,35).
What are the key properties of 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 499.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[methyl(pyridin-4-yl)amino]benzoyl]-N-[2-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 58899714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).