1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone

C15H19FN2O3 — CID 110762207

IUPAC1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-3-21-14-5-4-12(10-13(14)16)15(20)18-8-6-17(7-9-18)11(2)19/h4-5,10H,3,6-9H2,1-2H3
InChIKeyUQTDGSNJRKHTSX-UHFFFAOYSA-N
MW294.33 g/mol
LogP1.53
Rot. Bonds3

About 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone

1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 110762207) has the molecular formula C15H19FN2O3 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
PubChem CID110762207
Molecular FormulaC15H19FN2O3
Molecular Weight294.33 g/mol
Exact Mass294.14
IUPAC Name1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESCCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1F
InChIInChI=1S/C15H19FN2O3/c1-3-21-14-5-4-12(10-13(14)16)15(20)18-8-6-17(7-9-18)11(2)19/h4-5,10H,3,6-9H2,1-2H3
InChIKeyUQTDGSNJRKHTSX-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809000
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
CID 110803776
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
1-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110807635
cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
(4-ethoxy-3-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809897
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110815288
1-[4-(4-ethoxy-3-nitrobenzoyl)piperazin-1-yl]ethanone
CID 39752642
(3,4-diethoxyphenyl)-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]methanone
CID 19292850
[4-(4-ethoxy-3-methylbenzoyl)piperazin-1-yl]-(3-fluorophenyl)methanone
CID 110802331
(3,4-diethoxyphenyl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19323344

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone (CID 110762207) is 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone is CCOc1ccc(C(=O)N2CCN(C(C)=O)CC2)cc1F.
What is the InChIKey of 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is UQTDGSNJRKHTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3/c1-3-21-14-5-4-12(10-13(14)16)15(20)18-8-6-17(7-9-18)11(2)19/h4-5,10H,3,6-9H2,1-2H3.
What are the key properties of 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone?
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 294.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110762207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).