1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one

C15H19FN2O3 — CID 86925844

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-11(21-14-5-3-4-13(16)10-14)15(20)18-8-6-17(7-9-18)12(2)19/h3-5,10-11H,6-9H2,1-2H3
InChIKeyIKSUYXRAGQQJHT-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.28
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one

1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one (PubChem CID 86925844) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
PubChem CID86925844
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one
SMILESCC(=O)N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1
InChIInChI=1S/C15H19FN2O3/c1-11(21-14-5-3-4-13(16)10-14)15(20)18-8-6-17(7-9-18)12(2)19/h3-5,10-11H,6-9H2,1-2H3
InChIKeyIKSUYXRAGQQJHT-UHFFFAOYSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86926716
2-(3-fluorophenoxy)-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060436
4-[2-(3-fluorophenoxy)propanoyl]piperazine-2,6-dione
CID 66083720
6-[2-(3-fluorophenoxy)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175614
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 86925847
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-(4-hydroxyphenoxy)propan-1-one
CID 108534702
1-[2-(3-fluorophenoxy)propanoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63146213
N-[1-[2-(3-fluorophenoxy)propanoyl]piperidin-3-yl]acetamide
CID 87005926
3-[(2R)-1-(4-acetyl-1,4-diazepan-1-yl)-1-oxopropan-2-yl]oxybenzonitrile
CID 95582705
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 125135252
2-(3-fluorophenoxy)-1-[2-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 81208010
1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(3-fluorophenoxy)propan-1-one
CID 167931457

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one (CID 86925844) is 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one is CC(=O)N1CCN(C(=O)C(C)Oc2cccc(F)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one?
The InChIKey is IKSUYXRAGQQJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11(21-14-5-3-4-13(16)10-14)15(20)18-8-6-17(7-9-18)12(2)19/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one?
1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one has a molecular weight of 294.33 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(3-fluorophenoxy)propan-1-one is sourced from PubChem (CID 86925844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).