4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide

C20H21N3O5 — CID 113199632

About 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide

4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide (PubChem CID 113199632) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
• PubChem CID: 113199632
• Molecular Formula: C20H21N3O5
• Molecular Weight: 383.40 g/mol
• Exact Mass: 383.15
• IUPAC Name: 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide
• SMILES: O=C(Nc1c2c(cc3c1OCC3)OCC2)N1CCN(C(=O)c2ccco2)CC1
• InChI: InChI=1S/C20H21N3O5/c24-19(15-2-1-9-26-15)22-5-7-23(8-6-22)20(25)21-17-14-4-11-27-16(14)12-13-3-10-28-18(13)17/h1-2,9,12H,3-8,10-11H2,(H,21,25)
• InChIKey: PFDISCZEWBWHHS-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 84.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.40
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?

The IUPAC name of 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide (CID 113199632) is 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide.

What is the SMILES notation for 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?

The canonical SMILES for 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide is O=C(Nc1c2c(cc3c1OCC3)OCC2)N1CCN(C(=O)c2ccco2)CC1.

What is the InChIKey of 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?

The InChIKey is PFDISCZEWBWHHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c24-19(15-2-1-9-26-15)22-5-7-23(8-6-22)20(25)21-17-14-4-11-27-16(14)12-13-3-10-28-18(13)17/h1-2,9,12H,3-8,10-11H2,(H,21,25).

What are the key properties of 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide?

4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(furan-2-carbonyl)-N-(2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)piperazine-1-carboxamide is sourced from PubChem (CID 113199632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).