4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

C20H24FN3O — CID 134800031

IUPAC4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-22(2)20(25)24-13-11-23(12-14-24)15-16-7-3-4-8-17(16)18-9-5-6-10-19(18)21/h3-10H,11-15H2,1-2H3
InChIKeyJISUJRLGIWITPO-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.29
Rot. Bonds3

About 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide

4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (PubChem CID 134800031) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
PubChem CID134800031
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1
InChIInChI=1S/C20H24FN3O/c1-22(2)20(25)24-13-11-23(12-14-24)15-16-7-3-4-8-17(16)18-9-5-6-10-19(18)21/h3-10H,11-15H2,1-2H3
InChIKeyJISUJRLGIWITPO-UHFFFAOYSA-N
XLogP3.29
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-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

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The IUPAC name of 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide (CID 134800031) is 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The canonical SMILES for 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is CN(C)C(=O)N1CCN(Cc2ccccc2-c2ccccc2F)CC1.
What is the InChIKey of 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
The InChIKey is JISUJRLGIWITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-22(2)20(25)24-13-11-23(12-14-24)15-16-7-3-4-8-17(16)18-9-5-6-10-19(18)21/h3-10H,11-15H2,1-2H3.
What are the key properties of 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide?
4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-fluorophenyl)phenyl]methyl]-N,N-dimethylpiperazine-1-carboxamide is sourced from PubChem (CID 134800031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).