4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one

C30H38N4O4 — CID 162125914

About 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one

4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one (PubChem CID 162125914) has the molecular formula C30H38N4O4 and a molecular weight of 518.66 g/mol. Its IUPAC name is 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one.

Molecular Properties

• Compound Name: 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one
• PubChem CID: 162125914
• Molecular Formula: C30H38N4O4
• Molecular Weight: 518.66 g/mol
• Exact Mass: 518.29
• IUPAC Name: 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one
• SMILES: COCCCC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)CC3)cc2c1C
• InChI: InChI=1S/C30H38N4O4/c1-22-26(29(35)4-3-17-37-2)9-10-28-27(22)21-34(31-28)20-23-11-13-33(14-12-23)30(36)24-5-7-25(8-6-24)32-15-18-38-19-16-32/h5-10,21,23H,3-4,11-20H2,1-2H3
• InChIKey: ZIAGCSOWRAIIJO-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 76.90 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.66
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one?

The IUPAC name of 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one (CID 162125914) is 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one.

What is the SMILES notation for 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one?

The canonical SMILES for 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one is COCCCC(=O)c1ccc2nn(CC3CCN(C(=O)c4ccc(N5CCOCC5)cc4)CC3)cc2c1C.

What is the InChIKey of 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one?

The InChIKey is ZIAGCSOWRAIIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N4O4/c1-22-26(29(35)4-3-17-37-2)9-10-28-27(22)21-34(31-28)20-23-11-13-33(14-12-23)30(36)24-5-7-25(8-6-24)32-15-18-38-19-16-32/h5-10,21,23H,3-4,11-20H2,1-2H3.

What are the key properties of 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one?

4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one has a molecular weight of 518.66 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methoxy-1-[4-methyl-2-[[1-(4-morpholin-4-ylbenzoyl)piperidin-4-yl]methyl]indazol-5-yl]butan-1-one is sourced from PubChem (CID 162125914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).