2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

C20H24FN3O — CID 861109

IUPAC2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-16-2-4-17(5-3-16)14-22-20(25)15-23-10-12-24(13-11-23)19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyAQUAZICCMOYEHF-UHFFFAOYSA-N
MW341.43 g/mol
LogP2.57
Rot. Bonds5

About 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide

2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (PubChem CID 861109) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
PubChem CID861109
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
SMILESCc1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H24FN3O/c1-16-2-4-17(5-3-16)14-22-20(25)15-23-10-12-24(13-11-23)19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3,(H,22,25)
InChIKeyAQUAZICCMOYEHF-UHFFFAOYSA-N
XLogP2.57
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide (CID 861109) is 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is Cc1ccc(CNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
The InChIKey is AQUAZICCMOYEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-2-4-17(5-3-16)14-22-20(25)15-23-10-12-24(13-11-23)19-8-6-18(21)7-9-19/h2-9H,10-15H2,1H3,(H,22,25).
What are the key properties of 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide?
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide has a molecular weight of 341.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 861109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).