2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone

C15H20FN3O — CID 66195575

IUPAC2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H20FN3O/c16-13-3-1-12(2-4-13)9-15(20)19-10-14(11-19)18-7-5-17-6-8-18/h1-4,14,17H,5-11H2
InChIKeyJBMBPUIJZHFMAV-UHFFFAOYSA-N
MW277.34 g/mol
LogP0.48
Rot. Bonds3

About 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone

2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone (PubChem CID 66195575) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
PubChem CID66195575
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Name2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
SMILESO=C(Cc1ccc(F)cc1)N1CC(N2CCNCC2)C1
InChIInChI=1S/C15H20FN3O/c16-13-3-1-12(2-4-13)9-15(20)19-10-14(11-19)18-7-5-17-6-8-18/h1-4,14,17H,5-11H2
InChIKeyJBMBPUIJZHFMAV-UHFFFAOYSA-N
XLogP0.48
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone;hydrochloride
CID 120995454
1-(3-piperazin-1-ylazetidin-1-yl)-2-thiophen-3-ylethanone
CID 66202821
1-(3-aminoazetidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 63753631
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]ethanone
CID 110868312
2-(2-fluorophenyl)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120996651
1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121972
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-(4-fluorophenyl)ethanone
CID 1121974
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
2-(4-fluorophenoxy)-1-(3-piperazin-1-ylpyrrolidin-1-yl)ethanone
CID 120997837
4,4,4-trifluoro-1-(3-piperazin-1-ylazetidin-1-yl)butan-1-one
CID 66201657

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone (CID 66195575) is 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone is O=C(Cc1ccc(F)cc1)N1CC(N2CCNCC2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
The InChIKey is JBMBPUIJZHFMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O/c16-13-3-1-12(2-4-13)9-15(20)19-10-14(11-19)18-7-5-17-6-8-18/h1-4,14,17H,5-11H2.
What are the key properties of 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone?
2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone has a molecular weight of 277.34 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(3-piperazin-1-ylazetidin-1-yl)ethanone is sourced from PubChem (CID 66195575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).