cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone

C17H21FN2O3 — CID 110803736

IUPACcyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H21FN2O3/c1-23-15-6-5-13(18)11-14(15)17(22)20-9-7-19(8-10-20)16(21)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyAZMCQOMZGMWEQR-UHFFFAOYSA-N
MW320.36 g/mol
LogP1.92
Rot. Bonds3

About cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone (PubChem CID 110803736) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
PubChem CID110803736
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Namecyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone
SMILESCOc1ccc(F)cc1C(=O)N1CCN(C(=O)C2CCC2)CC1
InChIInChI=1S/C17H21FN2O3/c1-23-15-6-5-13(18)11-14(15)17(22)20-9-7-19(8-10-20)16(21)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyAZMCQOMZGMWEQR-UHFFFAOYSA-N
XLogP1.92
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807483
[1-(5-fluoro-2-methoxybenzoyl)piperidin-4-yl]-morpholin-4-ylmethanone
CID 38492080
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
(5-fluoro-2-methoxyphenyl)-(4-hydroxypiperidin-1-yl)methanone
CID 82481714
cyclopentyl-[4-(2,5-dimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807480
cyclopentyl-[4-(5-ethyl-2-methoxybenzoyl)piperazin-1-yl]methanone
CID 110801618
cyclobutyl-[4-(5-fluoro-2-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 110818774
cyclopentyl-[4-(2,4-difluorobenzoyl)piperazin-1-yl]methanone
CID 110801627
1-[4-(5-fluoro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110806210
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172
cyclopentyl-[4-(2-methoxy-4,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110807493

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone (CID 110803736) is cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone is COc1ccc(F)cc1C(=O)N1CCN(C(=O)C2CCC2)CC1.
What is the InChIKey of cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone?
The InChIKey is AZMCQOMZGMWEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-23-15-6-5-13(18)11-14(15)17(22)20-9-7-19(8-10-20)16(21)12-3-2-4-12/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone has a molecular weight of 320.36 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).