4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

C25H24F3N3O2 — CID 2822264

IUPAC4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)33-22-13-11-21(12-14-22)29-24(32)31-17-15-30(16-18-31)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,29,32)
InChIKeyHNDVAWFXSOHWRY-UHFFFAOYSA-N
MW455.48 g/mol
LogP5.52
Rot. Bonds5

About 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (PubChem CID 2822264) has the molecular formula C25H24F3N3O2 and a molecular weight of 455.48 g/mol. Its IUPAC name is 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
PubChem CID2822264
Molecular FormulaC25H24F3N3O2
Molecular Weight455.48 g/mol
Exact Mass455.18
IUPAC Name4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H24F3N3O2/c26-25(27,28)33-22-13-11-21(12-14-22)29-24(32)31-17-15-30(16-18-31)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,29,32)
InChIKeyHNDVAWFXSOHWRY-UHFFFAOYSA-N
XLogP5.52
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.48
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzhydryl-N-[4-(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-benzhydryl-N-[4-[(4-benzhydrylpiperazine-1-carbonyl)amino]phenyl]piperazine-1-carboxamide
CID 43834011
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carbothioamide
CID 4576253
N-[4-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47193651
4-[(S)-(4-chlorophenyl)-phenylmethyl]-N-phenylpiperazine-1-carboxamide
CID 92767755
4-benzhydryl-N-(4-nitrophenyl)piperazine-1-carboxamide
CID 2933426
4-benzhydryl-N-(3,4-dichlorophenyl)piperazine-1-carboxamide
CID 1358692
4-benzhydryl-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2212510
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide
CID 171291188
N-[4-[(S)-piperazin-1-yl-[4-(trifluoromethoxy)phenyl]methyl]phenyl]acetamide;dihydrochloride
CID 171291189
4-(4-methoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide
CID 3867518
N-(3-acetylphenyl)-4-benzhydrylpiperazine-1-carboxamide
CID 2955113
4-benzhydryl-N-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 108871381

Frequently Asked Questions

What is the IUPAC name of 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide (CID 2822264) is 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
The InChIKey is HNDVAWFXSOHWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O2/c26-25(27,28)33-22-13-11-21(12-14-22)29-24(32)31-17-15-30(16-18-31)23(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-14,23H,15-18H2,(H,29,32).
What are the key properties of 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide?
4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide has a molecular weight of 455.48 g/mol, XLogP of 5.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydryl-N-[4-(trifluoromethoxy)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 2822264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).