4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

C21H26FN3O — CID 113109182

IUPAC4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H26FN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyDUXXZUZMXJGNHG-UHFFFAOYSA-N
MW355.46 g/mol
LogP3.52
Rot. Bonds4

About 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide

4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (PubChem CID 113109182) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
PubChem CID113109182
Molecular FormulaC21H26FN3O
Molecular Weight355.46 g/mol
Exact Mass355.21
IUPAC Name4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(N2CCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1C
InChIInChI=1S/C21H26FN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26)
InChIKeyDUXXZUZMXJGNHG-UHFFFAOYSA-N
XLogP3.52
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 53.52
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-[2-(4-chlorophenyl)ethyl]-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113109947
N-[2-(4-chlorophenyl)ethyl]-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 108891864
4-(1,3-benzodioxol-5-yl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109221
methyl 3-[4-[2-(4-fluorophenyl)ethylcarbamoyl]piperazin-1-yl]benzoate
CID 113109215
1-[4-(3,4-dimethylphenyl)piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 113075520
4-(2,6-dichlorophenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide
CID 113109230
4-(4-fluorophenyl)-N-(3-phenylpropyl)piperazine-1-carboxamide
CID 84526356
N-[2-(4-fluorophenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27532293
N-[2-(4-fluorophenyl)ethyl]-4-methylsulfonylpiperazine-1-carboxamide
CID 108902217
4-(4-fluorophenyl)-N-(3-oxobutyl)piperazine-1-carboxamide
CID 108895046
4-(3,5-dimethylphenyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 113108874
N-[2-(4-fluorophenyl)ethyl]-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 108902115

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide (CID 113109182) is 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is Cc1ccc(N2CCN(C(=O)NCCc3ccc(F)cc3)CC2)cc1C.
What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
The InChIKey is DUXXZUZMXJGNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-16-3-8-20(15-17(16)2)24-11-13-25(14-12-24)21(26)23-10-9-18-4-6-19(22)7-5-18/h3-8,15H,9-14H2,1-2H3,(H,23,26).
What are the key properties of 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide?
4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide has a molecular weight of 355.46 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)-N-[2-(4-fluorophenyl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 113109182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).