N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide

C20H19N3O5S — CID 55965888

About N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide (PubChem CID 55965888) has the molecular formula C20H19N3O5S and a molecular weight of 413.46 g/mol. Its IUPAC name is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

• Compound Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
• PubChem CID: 55965888
• Molecular Formula: C20H19N3O5S
• Molecular Weight: 413.46 g/mol
• Exact Mass: 413.10
• IUPAC Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide
• SMILES: O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCN1C(=O)c1ccco1
• InChI: InChI=1S/C20H19N3O5S/c24-18(13-4-1-2-6-23(13)19(25)14-5-3-7-26-14)22-20-21-12-10-15-16(11-17(12)29-20)28-9-8-27-15/h3,5,7,10-11,13H,1-2,4,6,8-9H2,(H,21,22,24)
• InChIKey: XQPRBHKQJQGYBK-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.46
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The IUPAC name of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide (CID 55965888) is N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide.

What is the SMILES notation for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The canonical SMILES for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide is O=C(Nc1nc2cc3c(cc2s1)OCCO3)C1CCCCN1C(=O)c1ccco1.

What is the InChIKey of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide?

The InChIKey is XQPRBHKQJQGYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O5S/c24-18(13-4-1-2-6-23(13)19(25)14-5-3-7-26-14)22-20-21-12-10-15-16(11-17(12)29-20)28-9-8-27-15/h3,5,7,10-11,13H,1-2,4,6,8-9H2,(H,21,22,24).

What are the key properties of N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide?

N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 413.46 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 55965888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).