[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

C₁₈H₂₇N₃O₃S — CID 1327862

About [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 1327862) has the molecular formula C₁₈H₂₇N₃O₃S and a molecular weight of 365.50 g/mol. Its IUPAC name is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
• PubChem CID: 1327862
• Molecular Formula: C₁₈H₂₇N₃O₃S
• Molecular Weight: 365.50 g/mol
• Exact Mass: 365.18
• IUPAC Name: [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone
• SMILES: Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1
• InChI: InChI=1S/C18H27N3O3S/c1-15-3-5-17(6-4-15)25(23,24)21-9-7-16(8-10-21)18(22)20-13-11-19(2)12-14-20/h3-6,16H,7-14H2,1-2H3
• InChIKey: VPTGBAXXZLJUTH-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 60.93 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.50
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?

The IUPAC name of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone (CID 1327862) is [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone.

What is the SMILES notation for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?

The canonical SMILES for [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1.

What is the InChIKey of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?

The InChIKey is VPTGBAXXZLJUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-15-3-5-17(6-4-15)25(23,24)21-9-7-16(8-10-21)18(22)20-13-11-19(2)12-14-20/h3-6,16H,7-14H2,1-2H3.

What are the key properties of [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone?

[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 365.50 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 [1-(4-methylphenyl)sulfonylpiperidin-4-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 1327862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 1327862 — identifiers, structure, computed properties (public domain)

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