2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone

C19H19FN2O3 — CID 167771023

IUPAC2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H19FN2O3/c20-16-5-1-14(2-6-16)19(24)15-3-7-17(8-4-15)25-13-18(23)22-11-9-21-10-12-22/h1-8,21H,9-13H2
InChIKeySDPBNSRLFLJMHN-UHFFFAOYSA-N
MW342.37 g/mol
LogP1.87
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone

2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone (PubChem CID 167771023) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
PubChem CID167771023
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone
SMILESO=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCNCC2)cc1
InChIInChI=1S/C19H19FN2O3/c20-16-5-1-14(2-6-16)19(24)15-3-7-17(8-4-15)25-13-18(23)22-11-9-21-10-12-22/h1-8,21H,9-13H2
InChIKeySDPBNSRLFLJMHN-UHFFFAOYSA-N
XLogP1.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azocan-1-yl)-2-[4-(4-fluorobenzoyl)phenoxy]ethanone
CID 55397362
4-(2-oxo-2-piperazin-1-ylethoxy)benzoic acid
CID 82147640
2-(4-benzoylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119415956
1-piperazin-1-yl-2-[4-(pyrrolidine-1-carbonyl)phenoxy]ethanone
CID 28916794
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
3-(4-fluorophenoxy)-1-piperazin-1-ylpropan-1-one
CID 39256403
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one
CID 110817306
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
4-[2-(4-fluorophenoxy)acetyl]piperazin-2-one
CID 31095507
4-amino-1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119291703
1-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3-pyrrolidin-1-ylpropan-1-one
CID 110666265

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone (CID 167771023) is 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone is O=C(c1ccc(F)cc1)c1ccc(OCC(=O)N2CCNCC2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone?
The InChIKey is SDPBNSRLFLJMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c20-16-5-1-14(2-6-16)19(24)15-3-7-17(8-4-15)25-13-18(23)22-11-9-21-10-12-22/h1-8,21H,9-13H2.
What are the key properties of 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone?
2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone has a molecular weight of 342.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)phenoxy]-1-piperazin-1-ylethanone is sourced from PubChem (CID 167771023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).