2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide

C20H22F2N3O2+ — CID 2656227

IUPAC2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O2/c1-14(26)15-2-5-17(6-3-15)25-10-8-24(9-11-25)13-20(27)23-19-7-4-16(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1
InChIKeyWOTZPDQBSWEWNI-UHFFFAOYSA-O
MW374.41 g/mol
LogP1.51
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide (PubChem CID 2656227) has the molecular formula C20H22F2N3O2+ and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
PubChem CID2656227
Molecular FormulaC20H22F2N3O2+
Molecular Weight374.41 g/mol
Exact Mass374.17
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide
SMILESCC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)cc1
InChIInChI=1S/C20H21F2N3O2/c1-14(26)15-2-5-17(6-3-15)25-10-8-24(9-11-25)13-20(27)23-19-7-4-16(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1
InChIKeyWOTZPDQBSWEWNI-UHFFFAOYSA-O
XLogP1.51
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(2,4-difluoroanilino)-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 2064227
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-phenylacetamide
CID 6930719
N-(2,4-difluorophenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 2264829
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7830382
N-(2,4-difluorophenyl)-2-piperidin-1-ium-1-ylacetamide
CID 6934505
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 8704189
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 2656205
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7594281
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 8005789
N-(2-benzoyl-4-chlorophenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide
CID 2172531
N-(2,4-difluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 5181353
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(tert-butylcarbamoyl)acetamide
CID 2107329

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide (CID 2656227) is 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide is CC(=O)c1ccc(N2CC[NH+](CC(=O)Nc3ccc(F)cc3F)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is WOTZPDQBSWEWNI-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H21F2N3O2/c1-14(26)15-2-5-17(6-3-15)25-10-8-24(9-11-25)13-20(27)23-19-7-4-16(21)12-18(19)22/h2-7,12H,8-11,13H2,1H3,(H,23,27)/p+1.
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 374.41 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 2656227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).