1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide

C17H25N3O5 — CID 74577289

About 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide

1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide (PubChem CID 74577289) has the molecular formula C17H25N3O5 and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
• PubChem CID: 74577289
• Molecular Formula: C17H25N3O5
• Molecular Weight: 351.40 g/mol
• Exact Mass: 351.18
• IUPAC Name: 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide
• SMILES: NC(=O)C1CCN(C2C3OCC(O3)C(NCc3ccco3)C2O)CC1
• InChI: InChI=1S/C17H25N3O5/c18-16(22)10-3-5-20(6-4-10)14-15(21)13(12-9-24-17(14)25-12)19-8-11-2-1-7-23-11/h1-2,7,10,12-15,17,19,21H,3-6,8-9H2,(H2,18,22)
• InChIKey: ZEODSSRGBZNRCX-UHFFFAOYSA-N
• XLogP: -0.58
• TPSA: 110.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.40
LogP ≤ 5	-0.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide (CID 74577289) is 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2C3OCC(O3)C(NCc3ccco3)C2O)CC1.

What is the InChIKey of 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide?

The InChIKey is ZEODSSRGBZNRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O5/c18-16(22)10-3-5-20(6-4-10)14-15(21)13(12-9-24-17(14)25-12)19-8-11-2-1-7-23-11/h1-2,7,10,12-15,17,19,21H,3-6,8-9H2,(H2,18,22).

What are the key properties of 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide?

1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide has a molecular weight of 351.40 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(furan-2-ylmethylamino)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 74577289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).