cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone

C17H22N2O4S — CID 110803821

IUPACcyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)15-7-5-14(6-8-15)17(21)19-11-9-18(10-12-19)16(20)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLCDGZTRYIAKODH-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.17
Rot. Bonds3

About cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone

cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone (PubChem CID 110803821) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
PubChem CID110803821
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC Namecyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone
SMILESCS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1
InChIInChI=1S/C17H22N2O4S/c1-24(22,23)15-7-5-14(6-8-15)17(21)19-11-9-18(10-12-19)16(20)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3
InChIKeyLCDGZTRYIAKODH-UHFFFAOYSA-N
XLogP1.17
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropyl-[4-(4-methylsulfonylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110806526
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-phenylbenzenesulfonamide
CID 56512192
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
4-[4-(cyclobutanecarbonyl)piperazine-1-carbonyl]-N-(2-methoxyethyl)benzenesulfonamide
CID 56512190
cyclopropyl-[4-(4-methylsulfonylphenyl)sulfonylpiperazin-1-yl]methanone
CID 110817571
N-cyclohexyl-N-methyl-4-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzenesulfonamide
CID 55468843
cyclopentyl-[4-(4-ethylbenzoyl)piperazin-1-yl]methanone
CID 84546397
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclobutyl-(4-methylsulfonylphenyl)methanone
CID 82497049
4-(4-methylsulfonylbenzoyl)piperazine-1-carbaldehyde
CID 110764797
(3-aminocyclohexyl)-[4-(3-methylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 119791178
cyclobutyl-[4-(4-pyrrol-1-ylbenzoyl)piperazin-1-yl]methanone
CID 110803719

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone?
The IUPAC name of cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone (CID 110803821) is cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone is CS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)C3CCC3)CC2)cc1.
What is the InChIKey of cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone?
The InChIKey is LCDGZTRYIAKODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-24(22,23)15-7-5-14(6-8-15)17(21)19-11-9-18(10-12-19)16(20)13-3-2-4-13/h5-8,13H,2-4,9-12H2,1H3.
What are the key properties of cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone?
cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone has a molecular weight of 350.44 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[4-(4-methylsulfonylbenzoyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110803821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).