N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide

C21H21N3O5S — CID 43033278

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (PubChem CID 43033278) has the molecular formula C21H21N3O5S and a molecular weight of 427.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
• PubChem CID: 43033278
• Molecular Formula: C21H21N3O5S
• Molecular Weight: 427.48 g/mol
• Exact Mass: 427.12
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
• InChI: InChI=1S/C21H21N3O5S/c25-21(22-15-7-8-17-18(12-15)29-11-10-28-17)14-4-3-9-24(13-14)20-16-5-1-2-6-19(16)30(26,27)23-20/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,22,25)
• InChIKey: GTGGOESLGJICKR-UHFFFAOYSA-N
• XLogP: 2.26
• TPSA: 97.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.48
LogP ≤ 5	2.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide (CID 43033278) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?

The InChIKey is GTGGOESLGJICKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O5S/c25-21(22-15-7-8-17-18(12-15)29-11-10-28-17)14-4-3-9-24(13-14)20-16-5-1-2-6-19(16)30(26,27)23-20/h1-2,5-8,12,14H,3-4,9-11,13H2,(H,22,25).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide has a molecular weight of 427.48 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxamide is sourced from PubChem (CID 43033278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).