5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide

C20H28N2O3 — CID 46964352

About 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide

5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide (PubChem CID 46964352) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide
• PubChem CID: 46964352
• Molecular Formula: C20H28N2O3
• Molecular Weight: 344.46 g/mol
• Exact Mass: 344.21
• IUPAC Name: 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide
• SMILES: Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)CN1CCCC(C)C1
• InChI: InChI=1S/C20H28N2O3/c1-13-6-5-9-22(11-13)12-20(3,4)21-19(24)18-14(2)25-17-8-7-15(23)10-16(17)18/h7-8,10,13,23H,5-6,9,11-12H2,1-4H3,(H,21,24)
• InChIKey: RRUWZAVXFRQXLV-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 65.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	344.46
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide?

The IUPAC name of 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide (CID 46964352) is 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide is Cc1oc2ccc(O)cc2c1C(=O)NC(C)(C)CN1CCCC(C)C1.

What is the InChIKey of 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide?

The InChIKey is RRUWZAVXFRQXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-6-5-9-22(11-13)12-20(3,4)21-19(24)18-14(2)25-17-8-7-15(23)10-16(17)18/h7-8,10,13,23H,5-6,9,11-12H2,1-4H3,(H,21,24).

What are the key properties of 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide?

5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.69, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-hydroxy-2-methyl-N-[2-methyl-1-(3-methylpiperidin-1-yl)propan-2-yl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 46964352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).