7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

C24H28N2O3 — CID 132659671

About 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide

7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 132659671) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
• PubChem CID: 132659671
• Molecular Formula: C24H28N2O3
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.21
• IUPAC Name: 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide
• SMILES: COc1cccc2cc(C(=O)NC(C)c3ccc(N4CCCC(C)C4)cc3)oc12
• InChI: InChI=1S/C24H28N2O3/c1-16-6-5-13-26(15-16)20-11-9-18(10-12-20)17(2)25-24(27)22-14-19-7-4-8-21(28-3)23(19)29-22/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H,25,27)
• InChIKey: XLWIHBDLJJFABM-UHFFFAOYSA-N
• XLogP: 5.17
• TPSA: 54.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	392.50
LogP ≤ 5	5.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?

The IUPAC name of 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide (CID 132659671) is 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide.

What is the SMILES notation for 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?

The canonical SMILES for 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NC(C)c3ccc(N4CCCC(C)C4)cc3)oc12.

What is the InChIKey of 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?

The InChIKey is XLWIHBDLJJFABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-16-6-5-13-26(15-16)20-11-9-18(10-12-20)17(2)25-24(27)22-14-19-7-4-8-21(28-3)23(19)29-22/h4,7-12,14,16-17H,5-6,13,15H2,1-3H3,(H,25,27).

What are the key properties of 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide?

7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 392.50 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methoxy-N-[1-[4-(3-methylpiperidin-1-yl)phenyl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 132659671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).