2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

C21H21F2N3O4 — CID 8007888

IUPAC2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1
InChIInChI=1S/C21H21F2N3O4/c1-14(27)15-2-5-17(6-3-15)26-10-8-25(9-11-26)13-20(28)24-16-4-7-18-19(12-16)30-21(22,23)29-18/h2-7,12H,8-11,13H2,1H3,(H,24,28)
InChIKeyHUYFCPXLZLLPMC-UHFFFAOYSA-N
MW417.41 g/mol
LogP2.97
Rot. Bonds5

About 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (PubChem CID 8007888) has the molecular formula C21H21F2N3O4 and a molecular weight of 417.41 g/mol. Its IUPAC name is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
PubChem CID8007888
Molecular FormulaC21H21F2N3O4
Molecular Weight417.41 g/mol
Exact Mass417.15
IUPAC Name2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1
InChIInChI=1S/C21H21F2N3O4/c1-14(27)15-2-5-17(6-3-15)26-10-8-25(9-11-26)13-20(28)24-16-4-7-18-19(12-16)30-21(22,23)29-18/h2-7,12H,8-11,13H2,1H3,(H,24,28)
InChIKeyHUYFCPXLZLLPMC-UHFFFAOYSA-N
XLogP2.97
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(1,3-benzodioxol-5-yl)acetamide
CID 1443738
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide
CID 2453681
N-(4-acetylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide
CID 1142120
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146876
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylacetamide
CID 9431269
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-bromophenyl)acetamide
CID 2574328
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]acetamide
CID 8994134
1-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904442
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-cyanophenyl)acetamide
CID 2082981
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 1443713
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 8591755
N-(4-acetylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]acetamide
CID 1448514

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The IUPAC name of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide (CID 8007888) is 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The canonical SMILES for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is CC(=O)c1ccc(N2CCN(CC(=O)Nc3ccc4c(c3)OC(F)(F)O4)CC2)cc1.
What is the InChIKey of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
The InChIKey is HUYFCPXLZLLPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O4/c1-14(27)15-2-5-17(6-3-15)26-10-8-25(9-11-26)13-20(28)24-16-4-7-18-19(12-16)30-21(22,23)29-18/h2-7,12H,8-11,13H2,1H3,(H,24,28).
What are the key properties of 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide?
2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide has a molecular weight of 417.41 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-(2,2-difluoro-1,3-benzodioxol-5-yl)acetamide is sourced from PubChem (CID 8007888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).