N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C23H28F3N3O — CID 4600175

IUPACN-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H28F3N3O/c1-16-7-5-10-19(22(2,3)4)20(16)27-21(30)29-13-11-28(12-14-29)18-9-6-8-17(15-18)23(24,25)26/h5-10,15H,11-14H2,1-4H3,(H,27,30)
InChIKeyVIZJDIZFBIOCNY-UHFFFAOYSA-N
MW419.49 g/mol
LogP5.67
Rot. Bonds2

About N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 4600175) has the molecular formula C23H28F3N3O and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID4600175
Molecular FormulaC23H28F3N3O
Molecular Weight419.49 g/mol
Exact Mass419.22
IUPAC NameN-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1cccc(C(C)(C)C)c1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C23H28F3N3O/c1-16-7-5-10-19(22(2,3)4)20(16)27-21(30)29-13-11-28(12-14-29)18-9-6-8-17(15-18)23(24,25)26/h5-10,15H,11-14H2,1-4H3,(H,27,30)
InChIKeyVIZJDIZFBIOCNY-UHFFFAOYSA-N
XLogP5.67
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylbutyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 38332211
N-(3,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114108
N-(3-methoxyphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2982408
N-(2,4-difluorophenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1329053
methyl 3-[[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]amino]benzoate
CID 3820124
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875
N-[4-(dimethylsulfamoyl)phenyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 1485505
4-(4-hydroxyphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4129039
N,N-dimethyl-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2973748
4-(4-acetylphenyl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 2210407
N-(2-methyl-1-oxoisoquinolin-4-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 20910199
N-[2-(dimethylamino)ethyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide;hydrochloride
CID 22163785

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 4600175) is N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1cccc(C(C)(C)C)c1NC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is VIZJDIZFBIOCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28F3N3O/c1-16-7-5-10-19(22(2,3)4)20(16)27-21(30)29-13-11-28(12-14-29)18-9-6-8-17(15-18)23(24,25)26/h5-10,15H,11-14H2,1-4H3,(H,27,30).
What are the key properties of N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methylphenyl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 4600175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).