2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone

C18H23FN2O4 — CID 154838081

IUPAC2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-2-1-3-16(12-15)25-13-17(22)20-6-8-21(9-7-20)18(23)14-4-10-24-11-5-14/h1-3,12,14H,4-11,13H2
InChIKeyPYAZRKHIONTPEV-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.30
Rot. Bonds4

About 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone

2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone (PubChem CID 154838081) has the molecular formula C18H23FN2O4 and a molecular weight of 350.39 g/mol. Its IUPAC name is 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
PubChem CID154838081
Molecular FormulaC18H23FN2O4
Molecular Weight350.39 g/mol
Exact Mass350.16
IUPAC Name2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(COc1cccc(F)c1)N1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H23FN2O4/c19-15-2-1-3-16(12-15)25-13-17(22)20-6-8-21(9-7-20)18(23)14-4-10-24-11-5-14/h1-3,12,14H,4-11,13H2
InChIKeyPYAZRKHIONTPEV-UHFFFAOYSA-N
XLogP1.30
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
1-(4-benzoylpiperazin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 8501561
1-[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]piperidin-1-yl]-2-phenoxyethanone
CID 55630806
2-(3-fluorophenoxy)-1-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 97156389
2-(3-fluorophenoxy)-1-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)ethanone
CID 72939846
N-cyclopropyl-2-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]acetamide
CID 51221111
2-(3-fluorophenoxy)-1-[(2R)-2-[(3R,4S)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346265
2-(3-fluorophenoxy)-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]ethanone
CID 110818418
2-(3-fluorophenoxy)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110665118
(2R,3S)-2-[1-[2-(3-fluorophenoxy)acetyl]piperidin-4-yl]oxolane-3-carboxamide
CID 128979442
2-(3-fluorophenoxy)-1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]ethanone
CID 63308620
1-[4-[2-(3-fluorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796896

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone (CID 154838081) is 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone is O=C(COc1cccc(F)c1)N1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is PYAZRKHIONTPEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O4/c19-15-2-1-3-16(12-15)25-13-17(22)20-6-8-21(9-7-20)18(23)14-4-10-24-11-5-14/h1-3,12,14H,4-11,13H2.
What are the key properties of 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone?
2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 350.39 g/mol, XLogP of 1.30, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenoxy)-1-[4-(oxane-4-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 154838081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).