N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide

C21H25FN3O3+ — CID 9020166

IUPACN-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-2-4-16(12-19)13-21(27)25-10-8-24(9-11-25)15-20(26)23-18-6-3-5-17(22)14-18/h2-7,12,14H,8-11,13,15H2,1H3,(H,23,26)/p+1
InChIKeyHZMOUGVIZGKKPT-UHFFFAOYSA-O
MW386.45 g/mol
LogP0.74
Rot. Bonds6

About N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide

N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9020166) has the molecular formula C21H25FN3O3+ and a molecular weight of 386.45 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
PubChem CID9020166
Molecular FormulaC21H25FN3O3+
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC NameN-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide
SMILESCOc1cccc(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c1
InChIInChI=1S/C21H24FN3O3/c1-28-19-7-2-4-16(12-19)13-21(27)25-10-8-24(9-11-25)15-20(26)23-18-6-3-5-17(22)14-18/h2-7,12,14H,8-11,13,15H2,1H3,(H,23,26)/p+1
InChIKeyHZMOUGVIZGKKPT-UHFFFAOYSA-O
XLogP0.74
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[2-(4-acetamidophenyl)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide
CID 8732738
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
N-(2,6-dimethylphenyl)-2-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9021616
N-(3-fluorophenyl)-2-[4-[(4-methoxyphenyl)methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide
CID 9214441
[2-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium
CID 8754880
N-(3-fluorophenyl)-2-[4-[2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]piperazin-1-ium-1-yl]acetamide
CID 9225284
1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 9369904
2-(azocan-1-ium-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583684
tert-butyl N-[4-[4-[2-(3-fluoroanilino)-2-oxoethyl]piperazin-4-ium-1-yl]-4-oxobutyl]carbamate
CID 9225296
N-(3-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3480604
2-(3-fluorophenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372637
N-(3-fluorophenyl)-2-[4-[4-(2-methylpropyl)benzoyl]piperazin-1-ium-1-yl]acetamide
CID 9020358

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide (CID 9020166) is N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide is COc1cccc(CC(=O)N2CC[NH+](CC(=O)Nc3cccc(F)c3)CC2)c1.
What is the InChIKey of N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide?
The InChIKey is HZMOUGVIZGKKPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H24FN3O3/c1-28-19-7-2-4-16(12-19)13-21(27)25-10-8-24(9-11-25)15-20(26)23-18-6-3-5-17(22)14-18/h2-7,12,14H,8-11,13,15H2,1H3,(H,23,26)/p+1.
What are the key properties of N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide?
N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 386.45 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9020166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).