(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

C15H22N2O6S — CID 1148012

IUPAC(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O6S/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(18)16-5-7-17(8-6-16)24(4,19)20/h9-10H,5-8H2,1-4H3
InChIKeyYOWFGWSLGPOEPA-UHFFFAOYSA-N
MW358.42 g/mol
LogP0.43
Rot. Bonds5

About (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone

(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 1148012) has the molecular formula C15H22N2O6S and a molecular weight of 358.42 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
PubChem CID1148012
Molecular FormulaC15H22N2O6S
Molecular Weight358.42 g/mol
Exact Mass358.12
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC
InChIInChI=1S/C15H22N2O6S/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(18)16-5-7-17(8-6-16)24(4,19)20/h9-10H,5-8H2,1-4H3
InChIKeyYOWFGWSLGPOEPA-UHFFFAOYSA-N
XLogP0.43
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenyl-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1010280
(3,5-dichlorophenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 55556525
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110708525
(2-methoxyphenyl)-[4-(3,4,5-trimethoxybenzoyl)piperazin-1-yl]methanone
CID 1072088
(3,5-dibromophenyl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 103907500
(4-bromopiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 80656388
(4-methoxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110725274
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 53078979
2,3-dimethoxy-5-(pyrrolidine-1-carbonyl)benzenesulfonyl chloride
CID 65367398
cyclopropyl-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797012
[4-(4-methylphenyl)piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 28760

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone (CID 1148012) is (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc(OC)c1OC.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is YOWFGWSLGPOEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O6S/c1-21-12-9-11(10-13(22-2)14(12)23-3)15(18)16-5-7-17(8-6-16)24(4,19)20/h9-10H,5-8H2,1-4H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone?
(4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 358.42 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 1148012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).