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

C18H23FN2O3 — CID 110803776

IUPACcyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1F
InChIInChI=1S/C18H23FN2O3/c1-2-24-16-7-6-14(12-15(16)19)18(23)21-10-8-20(9-11-21)17(22)13-4-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeySZUHTNCEFVPQNY-UHFFFAOYSA-N
MW334.39 g/mol
LogP2.31
Rot. Bonds4

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

cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone (PubChem CID 110803776) has the molecular formula C18H23FN2O3 and a molecular weight of 334.39 g/mol. Its IUPAC name is cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
PubChem CID110803776
Molecular FormulaC18H23FN2O3
Molecular Weight334.39 g/mol
Exact Mass334.17
IUPAC Namecyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1F
InChIInChI=1S/C18H23FN2O3/c1-2-24-16-7-6-14(12-15(16)19)18(23)21-10-8-20(9-11-21)17(22)13-4-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeySZUHTNCEFVPQNY-UHFFFAOYSA-N
XLogP2.31
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807508
cyclopropyl-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806481
1-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110762207
cyclohexyl-[4-(3-fluoro-4-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801032
(4-ethoxy-3-fluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 110762195
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
ethyl 4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809000
(2,6-dimethylpiperidin-1-yl)-(4-ethoxy-3-fluorophenyl)methanone
CID 110762234
1-[4-(4-ethoxy-3-fluorobenzoyl)-1,4-diazepan-1-yl]-2-ethylbutan-1-one
CID 110807635
(4-ethoxy-3-fluorophenyl)-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809897
cyclohexyl-[4-(3,4,5-triethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 108544633
1-(3,4-diethoxybenzoyl)piperidine-4-carboxylic acid
CID 16771876

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone (CID 110803776) is cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone is CCOc1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1F.
What is the InChIKey of cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone?
The InChIKey is SZUHTNCEFVPQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O3/c1-2-24-16-7-6-14(12-15(16)19)18(23)21-10-8-20(9-11-21)17(22)13-4-3-5-13/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone has a molecular weight of 334.39 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-ethoxy-3-fluorobenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).