1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

C20H21FN2O3 — CID 8867044

IUPAC1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-15(24)16-6-8-17(9-7-16)22-10-12-23(13-11-22)20(25)14-26-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3
InChIKeyBGSLIPCFMMPKBE-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.76
Rot. Bonds5

About 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (PubChem CID 8867044) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
PubChem CID8867044
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
SMILESCC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-15(24)16-6-8-17(9-7-16)22-10-12-23(13-11-22)20(25)14-26-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3
InChIKeyBGSLIPCFMMPKBE-UHFFFAOYSA-N
XLogP2.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-acetylphenyl)piperazin-1-yl]-2-phenoxyethanone
CID 8866833
1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 9011525
2-(2-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 110756055
2-(2,4-difluorophenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 17193919
2-(2-chlorophenoxy)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 716264
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
2-(2-fluorophenoxy)-1-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122334635
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
1-[4-[4-(2,6-difluorobenzoyl)piperazin-1-yl]phenyl]ethanone
CID 43008395
2-(2-fluorophenoxy)-1-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethanone
CID 126855116
1-(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)-2-(2-fluorophenoxy)ethanone
CID 131702362

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The IUPAC name of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone (CID 8867044) is 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone.
What is the SMILES notation for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The canonical SMILES for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is CC(=O)c1ccc(N2CCN(C(=O)COc3ccccc3F)CC2)cc1.
What is the InChIKey of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
The InChIKey is BGSLIPCFMMPKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-15(24)16-6-8-17(9-7-16)22-10-12-23(13-11-22)20(25)14-26-19-5-3-2-4-18(19)21/h2-9H,10-14H2,1H3.
What are the key properties of 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone?
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone has a molecular weight of 356.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-acetylphenyl)piperazin-1-yl]-2-(2-fluorophenoxy)ethanone is sourced from PubChem (CID 8867044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).