1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone

C15H19FN2O3 — CID 110767129

IUPAC1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1CC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H19FN2O3/c1-11(19)17-5-7-18(8-6-17)15(20)10-12-9-13(16)3-4-14(12)21-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQFLCVAXLJIUPFU-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.07
Rot. Bonds3

About 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone (PubChem CID 110767129) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
PubChem CID110767129
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone
SMILESCOc1ccc(F)cc1CC(=O)N1CCN(C(C)=O)CC1
InChIInChI=1S/C15H19FN2O3/c1-11(19)17-5-7-18(8-6-17)15(20)10-12-9-13(16)3-4-14(12)21-2/h3-4,9H,5-8,10H2,1-2H3
InChIKeyQFLCVAXLJIUPFU-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-(2,5-dimethoxyphenyl)ethanone
CID 78821506
2-(5-fluoro-2-methoxyphenyl)-1-piperazin-1-ylethanone
CID 82087911
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-2-(5-fluoro-2-methoxyphenyl)ethanone
CID 110806569
2-amino-1-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]ethanone
CID 98023481
2-(2,5-dimethoxyphenyl)-1-pyrrolidin-1-ylethanone
CID 30147939
2-(2,5-dimethoxyphenyl)-1-piperidin-1-ylethanone
CID 30147943
methyl 4-[2-(2,5-dimethoxyphenyl)acetyl]piperazine-1-carboxylate
CID 110803371
1-(4-acetylpiperazin-1-yl)-2-(5-chloro-2-methoxy-4-methylphenyl)ethanone
CID 110768671
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494
1-acetyl-N-[(5-fluoro-2-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 110793478
2-(2-methoxy-5-methylphenyl)-1-piperidin-1-ylethanone
CID 60667529
2-(5-tert-butyl-2-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 110767353

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone (CID 110767129) is 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone is COc1ccc(F)cc1CC(=O)N1CCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
The InChIKey is QFLCVAXLJIUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-11(19)17-5-7-18(8-6-17)15(20)10-12-9-13(16)3-4-14(12)21-2/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(5-fluoro-2-methoxyphenyl)ethanone has a molecular weight of 294.33 g/mol, XLogP of 1.07, 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-(5-fluoro-2-methoxyphenyl)ethanone is sourced from PubChem (CID 110767129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).