4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide

C33H38N4O6 — CID 90348966

About 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide

4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide (PubChem CID 90348966) has the molecular formula C33H38N4O6 and a molecular weight of 586.69 g/mol. Its IUPAC name is 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide.

Molecular Properties

• Compound Name: 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
• PubChem CID: 90348966
• Molecular Formula: C33H38N4O6
• Molecular Weight: 586.69 g/mol
• Exact Mass: 586.28
• IUPAC Name: 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide
• SMILES: CCC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21
• InChI: InChI=1S/C33H38N4O6/c1-3-32(39)37-15-11-26-20-30(29(22-28(26)37)42-19-18-41-2)43-27-8-12-34-31(21-27)35-33(40)25-6-4-23(5-7-25)24-9-13-36(14-10-24)16-17-38/h4-8,11-12,15,20-22,24,38H,3,9-10,13-14,16-19H2,1-2H3,(H,34,35,40)
• InChIKey: FTPNAJWBMUFCSG-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 115.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	586.69
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide?

The IUPAC name of 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide (CID 90348966) is 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide.

What is the SMILES notation for 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide?

The canonical SMILES for 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide is CCC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(CCO)CC5)cc4)c3)c(OCCOC)cc21.

What is the InChIKey of 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide?

The InChIKey is FTPNAJWBMUFCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O6/c1-3-32(39)37-15-11-26-20-30(29(22-28(26)37)42-19-18-41-2)43-27-8-12-34-31(21-27)35-33(40)25-6-4-23(5-7-25)24-9-13-36(14-10-24)16-17-38/h4-8,11-12,15,20-22,24,38H,3,9-10,13-14,16-19H2,1-2H3,(H,34,35,40).

What are the key properties of 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide?

4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide has a molecular weight of 586.69 g/mol, XLogP of 5.33, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-hydroxyethyl)piperidin-4-yl]-N-[4-[6-(2-methoxyethoxy)-1-propanoylindol-5-yl]oxy-2-pyridinyl]benzamide is sourced from PubChem (CID 90348966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).