3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide

C20H24FN3O — CID 771783

IUPAC3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-5-4-6-17(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyZIMKIUFNXQNOLA-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.28
Rot. Bonds5

About 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide

3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide (PubChem CID 771783) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
PubChem CID771783
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC Name3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1
InChIInChI=1S/C20H24FN3O/c1-16-5-4-6-17(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25)
InChIKeyZIMKIUFNXQNOLA-UHFFFAOYSA-N
XLogP3.28
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 ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 740647
N-(3-acetylphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 109029942
N-(3-chlorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 2901592
methyl 3-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029946
N-(3-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide;oxalic acid
CID 171154645
3-[4-(4-chlorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide
CID 42858886
methyl 4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propanoylamino]benzoate
CID 109029947
ethane;N-(3-methylphenyl)-3-piperidin-1-ylpropanamide
CID 143383579
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methylphenyl)methyl]propanamide
CID 109019783
N-(3-ethylphenyl)-2-[4-(2-fluorophenyl)piperazin-1-yl]acetamide
CID 36846051
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2-(3-methylphenyl)acetamide
CID 42224298
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methyl-3-nitrophenyl)propanamide
CID 33402077

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide (CID 771783) is 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCN2CCN(c3ccccc3F)CC2)c1.
What is the InChIKey of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
The InChIKey is ZIMKIUFNXQNOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-16-5-4-6-17(15-16)22-20(25)9-10-23-11-13-24(14-12-23)19-8-3-2-7-18(19)21/h2-8,15H,9-14H2,1H3,(H,22,25).
What are the key properties of 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide?
3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide has a molecular weight of 341.43 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 771783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).