1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride

C20H24Cl2FN3O2 — CID 119836972

IUPAC1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
SMILESCC(=O)c1ccc(N2CCN(C(=O)CNc3ccccc3)CC2)c(F)c1.Cl.Cl
InChIInChI=1S/C20H22FN3O2.2ClH/c1-15(25)16-7-8-19(18(21)13-16)23-9-11-24(12-10-23)20(26)14-22-17-5-3-2-4-6-17;;/h2-8,13,22H,9-12,14H2,1H3;2*1H
InChIKeyYZPQAPWRQDBHKJ-UHFFFAOYSA-N
MW428.34 g/mol
LogP3.63
Rot. Bonds5

About 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride (PubChem CID 119836972) has the molecular formula C20H24Cl2FN3O2 and a molecular weight of 428.34 g/mol. Its IUPAC name is 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
PubChem CID119836972
Molecular FormulaC20H24Cl2FN3O2
Molecular Weight428.34 g/mol
Exact Mass427.12
IUPAC Name1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride
SMILESCC(=O)c1ccc(N2CCN(C(=O)CNc3ccccc3)CC2)c(F)c1.Cl.Cl
InChIInChI=1S/C20H22FN3O2.2ClH/c1-15(25)16-7-8-19(18(21)13-16)23-9-11-24(12-10-23)20(26)14-22-17-5-3-2-4-6-17;;/h2-8,13,22H,9-12,14H2,1H3;2*1H
InChIKeyYZPQAPWRQDBHKJ-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.34
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(2-methoxyethylamino)ethanone;dihydrochloride
CID 119837006
2-(4-acetylanilino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 2450811
methyl 4-[[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]amino]benzoate
CID 109004477
[(1R)-3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]urea
CID 41305117
2-(3,5-dimethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004433
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(oxolan-2-ylmethylamino)ethanone;dihydrochloride
CID 119836964
2-(4-acetylanilino)-1-[4-(2-methoxyphenyl)piperazin-1-yl]ethanone
CID 71116229
1-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120549169
(2R)-1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-aminopropan-1-one;dihydrochloride
CID 119836978
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N,2-diphenylacetamide
CID 55470526
[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 3-phenylpropanoate
CID 41162681
2-(4-ethylanilino)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 109004436

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride?
The IUPAC name of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride (CID 119836972) is 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride?
The canonical SMILES for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride is CC(=O)c1ccc(N2CCN(C(=O)CNc3ccccc3)CC2)c(F)c1.Cl.Cl.
What is the InChIKey of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride?
The InChIKey is YZPQAPWRQDBHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2.2ClH/c1-15(25)16-7-8-19(18(21)13-16)23-9-11-24(12-10-23)20(26)14-22-17-5-3-2-4-6-17;;/h2-8,13,22H,9-12,14H2,1H3;2*1H.
What are the key properties of 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride?
1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride has a molecular weight of 428.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-anilinoethanone;dihydrochloride is sourced from PubChem (CID 119836972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).