4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide

C18H18F3N3O — CID 70949261

IUPAC4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1
InChIInChI=1S/C18H18F3N3O/c1-12-2-4-14(5-3-12)23-6-8-24(9-7-23)18(25)22-17-15(20)10-13(19)11-16(17)21/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyKISZDSSQHOJRNR-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.77
Rot. Bonds2

About 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide

4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide (PubChem CID 70949261) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
PubChem CID70949261
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1
InChIInChI=1S/C18H18F3N3O/c1-12-2-4-14(5-3-12)23-6-8-24(9-7-23)18(25)22-17-15(20)10-13(19)11-16(17)21/h2-5,10-11H,6-9H2,1H3,(H,22,25)
InChIKeyKISZDSSQHOJRNR-UHFFFAOYSA-N
XLogP3.77
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,4-bis(4-methylphenyl)piperazine-1-carboxamide
CID 113111254
4-(4-acetylphenyl)-N-(2,6-difluorophenyl)piperazine-1-carboxamide
CID 113114215
4-(4-tert-butylphenyl)-N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 113112680
4-(4-fluorophenyl)-N-(2,4,6-trichlorophenyl)piperazine-1-carboxamide
CID 4985902
N-(2,6-difluorophenyl)-4-[(4-methylphenyl)methyl]piperazine-1-carboxamide
CID 113107101
N-(4-methylphenyl)-4-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113111349
4-(4-fluorophenyl)-N-[3-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-4-methylphenyl]piperazine-1-carboxamide
CID 4087050
4-benzhydryl-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide
CID 46100869
N-(2,6-dibromo-4-propan-2-ylphenyl)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 4986012
4-(4-methylphenyl)-N-propylpiperazine-1-carboxamide
CID 110874514
N-(2-chloro-4,6-dimethylphenyl)-4-(3-fluorophenyl)piperazine-1-carboxamide
CID 113113392
4-(2,4-difluorophenyl)-N-(2,5-dimethylphenyl)piperazine-1-carboxamide
CID 113111591

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The IUPAC name of 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide (CID 70949261) is 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)Nc3c(F)cc(F)cc3F)CC2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
The InChIKey is KISZDSSQHOJRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c1-12-2-4-14(5-3-12)23-6-8-24(9-7-23)18(25)22-17-15(20)10-13(19)11-16(17)21/h2-5,10-11H,6-9H2,1H3,(H,22,25).
What are the key properties of 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide?
4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-(2,4,6-trifluorophenyl)piperazine-1-carboxamide is sourced from PubChem (CID 70949261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).