1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone

C19H19FN2O3 — CID 2166344

IUPAC1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)22-11-9-21(10-12-22)18(23)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyCGNSOLUBUQQPDR-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.19
Rot. Bonds4

About 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone (PubChem CID 2166344) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone
PubChem CID2166344
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)22-11-9-21(10-12-22)18(23)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2
InChIKeyCGNSOLUBUQQPDR-UHFFFAOYSA-N
XLogP2.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone (CID 2166344) is 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone?
The InChIKey is CGNSOLUBUQQPDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-6-4-5-15(13-16)19(24)22-11-9-21(10-12-22)18(23)14-25-17-7-2-1-3-8-17/h1-8,13H,9-12,14H2.
What are the key properties of 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone?
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone has a molecular weight of 342.37 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 2166344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).