2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

C39H35F3N4O2 — CID 58495928

IUPAC2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C39H35F3N4O2/c40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32/h1-21,37H,22-27H2,(H,44,48)
InChIKeyRMTULHXUENSCNW-UHFFFAOYSA-N
MW648.73 g/mol
LogP7.37
Rot. Bonds10

About 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide

2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 58495928) has the molecular formula C39H35F3N4O2 and a molecular weight of 648.73 g/mol. Its IUPAC name is 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
PubChem CID58495928
Molecular FormulaC39H35F3N4O2
Molecular Weight648.73 g/mol
Exact Mass648.27
IUPAC Name2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide
SMILESO=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C39H35F3N4O2/c40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32/h1-21,37H,22-27H2,(H,44,48)
InChIKeyRMTULHXUENSCNW-UHFFFAOYSA-N
XLogP7.37
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.73
LogP ≤ 57.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide 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

Lgh-447
CID 44814409
Jnj-31020028
CID 25134625
N-[4-[(5Z)-4,4-difluoro-5-[2-oxo-2-(pyridin-2-ylmethylamino)ethylidene]-2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-phenylbenzamide
CID 44520886
N-(2-aminophenyl)-4-{5-[(4-isopropylpiperazin-1-yl)methyl]-3-methylpyridin-2-yl}benzamide
CID 11575878
N-(2-aminophenyl)-4-(3-fluoro-5-{[4-(propan-2-yl)piperazin-1-yl]methyl}pyridin-2-yl)benzamide
CID 11590444
N-methyl-5-(2-(2-methyl-5-((3-(trifluoromethyl)phenyl)carbamoyl)phenyl)ethynyl)picolinamide
CID 11669282
N-[4-[4-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-3-fluorophenyl]-2-pyridin-3-ylbenzamide
CID 25151875
(S)-N-(1-(Pyridin-2-YL)ethyl)-5-(4-(trifluoromethyl)phenyl)-2-naphthamide
CID 146909371
1N,1N-dimethyl-4-{4-ethylcarbamoylphenyl[8-(2-pyridylmethyl)-(1R,5S)-8-azabicyclo[3.2.1]oct-3-yliden]methyl}benzamide
CID 44395606
N-[4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]-3-pyridinyl]-5-fluoro-6-(2-fluorophenyl)pyridine-2-carboxamide
CID 46179491
N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
CID 49797851
N-(4-((1R,3S)-3-aminocyclohexyl)pyridin-3-yl)-6-(2,6-difluorophenyl)-5-fluoropicolinamide
CID 59226389

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide (CID 58495928) is 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is O=C(Cc1ccc(N2CCN(C(C(=O)NCc3ccccn3)c3ccccc3)CC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is RMTULHXUENSCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H35F3N4O2/c40-39(41,42)31-17-15-29(16-18-31)34-11-4-5-12-35(34)36(47)26-28-13-19-33(20-14-28)45-22-24-46(25-23-45)37(30-8-2-1-3-9-30)38(48)44-27-32-10-6-7-21-43-32/h1-21,37H,22-27H2,(H,44,48).
What are the key properties of 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide?
2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 648.73 g/mol, XLogP of 7.37, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-oxo-2-[2-[4-(trifluoromethyl)phenyl]phenyl]ethyl]phenyl]piperazin-1-yl]-2-phenyl-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 58495928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).