1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

C21H25N3O4S — CID 55405202

About 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (PubChem CID 55405202) has the molecular formula C21H25N3O4S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
• PubChem CID: 55405202
• Molecular Formula: C21H25N3O4S
• Molecular Weight: 415.52 g/mol
• Exact Mass: 415.16
• IUPAC Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide
• SMILES: CC(CCc1ccco1)NC(=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1
• InChI: InChI=1S/C21H25N3O4S/c1-15(10-11-17-7-5-13-28-17)22-21(25)16-6-4-12-24(14-16)20-18-8-2-3-9-19(18)29(26,27)23-20/h2-3,5,7-9,13,15-16H,4,6,10-12,14H2,1H3,(H,22,25)
• InChIKey: JMEZHHZFIMRTEM-UHFFFAOYSA-N
• XLogP: 2.58
• TPSA: 91.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.52
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?

The IUPAC name of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide (CID 55405202) is 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is CC(CCc1ccco1)NC(=O)C1CCCN(C2=NS(=O)(=O)c3ccccc32)C1.

What is the InChIKey of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?

The InChIKey is JMEZHHZFIMRTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4S/c1-15(10-11-17-7-5-13-28-17)22-21(25)16-6-4-12-24(14-16)20-18-8-2-3-9-19(18)29(26,27)23-20/h2-3,5,7-9,13,15-16H,4,6,10-12,14H2,1H3,(H,22,25).

What are the key properties of 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide?

1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-N-[4-(furan-2-yl)butan-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55405202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).