N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

C20H22F3N3O — CID 113111479

IUPACN-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c(C)c1
InChIInChI=1S/C20H22F3N3O/c1-14-7-8-17(15(2)13-14)24-19(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyXYPUILYQKWATRU-UHFFFAOYSA-N
MW377.41 g/mol
LogP4.68
Rot. Bonds2

About N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide

N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (PubChem CID 113111479) has the molecular formula C20H22F3N3O and a molecular weight of 377.41 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
PubChem CID113111479
Molecular FormulaC20H22F3N3O
Molecular Weight377.41 g/mol
Exact Mass377.17
IUPAC NameN-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c(C)c1
InChIInChI=1S/C20H22F3N3O/c1-14-7-8-17(15(2)13-14)24-19(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27)
InChIKeyXYPUILYQKWATRU-UHFFFAOYSA-N
XLogP4.68
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethylphenyl)-4-(2-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111461
N-(2,4-dimethylphenyl)-4-(2-propan-2-yloxyphenyl)piperazine-1-carboxamide
CID 113111475
N-(2,4-dimethylphenyl)-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113111498
N-(3-acetylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113114078
N-propan-2-yl-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113078021
4-(2-hydroxyphenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 86988121
N-(2,4-dimethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetamide
CID 44902700
4-(2-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112616
N-(4-chloro-2-methylphenyl)-4-(2-methoxy-5-methylphenyl)piperazine-1-carboxamide
CID 113113209
N-(2,4-dimethylphenyl)-4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazine-1-carboxamide
CID 122336021
N-(2-cyanophenyl)-4-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111543
N-(2,4-dimethylphenyl)-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazine-3-carboxamide
CID 66850169

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide (CID 113111479) is N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(c3ccccc3C(F)(F)F)CC2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
The InChIKey is XYPUILYQKWATRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N3O/c1-14-7-8-17(15(2)13-14)24-19(27)26-11-9-25(10-12-26)18-6-4-3-5-16(18)20(21,22)23/h3-8,13H,9-12H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide?
N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide has a molecular weight of 377.41 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-4-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 113111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).