N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

C37H52FN3O11 — CID 10101479

About N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (PubChem CID 10101479) has the molecular formula C37H52FN3O11 and a molecular weight of 733.83 g/mol. Its IUPAC name is N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
• PubChem CID: 10101479
• Molecular Formula: C37H52FN3O11
• Molecular Weight: 733.83 g/mol
• Exact Mass: 733.36
• IUPAC Name: N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
• SMILES: CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCN3CC(C)OC(C)C3)CC2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O
• InChI: InChI=1S/C33H48FN3O3.2C2H2O4/c1-25(2)24-39-32-12-8-28(9-13-32)20-33(38)37(23-29-6-10-30(34)11-7-29)31-14-18-35(19-15-31)16-5-17-36-21-26(3)40-27(4)22-36;2*3-1(4)2(5)6/h6-13,25-27,31H,5,14-24H2,1-4H3;2*(H,3,4)(H,5,6)
• InChIKey: KFESCFBLQMTIOS-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 194.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	733.83
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The IUPAC name of N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (CID 10101479) is N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

What is the SMILES notation for N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The canonical SMILES for N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid is CC(C)COc1ccc(CC(=O)N(Cc2ccc(F)cc2)C2CCN(CCCN3CC(C)OC(C)C3)CC2)cc1.O=C(O)C(=O)O.O=C(O)C(=O)O.

What is the InChIKey of N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The InChIKey is KFESCFBLQMTIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H48FN3O3.2C2H2O4/c1-25(2)24-39-32-12-8-28(9-13-32)20-33(38)37(23-29-6-10-30(34)11-7-29)31-14-18-35(19-15-31)16-5-17-36-21-26(3)40-27(4)22-36;2*3-1(4)2(5)6/h6-13,25-27,31H,5,14-24H2,1-4H3;2*(H,3,4)(H,5,6).

What are the key properties of N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid has a molecular weight of 733.83 g/mol, XLogP of 3.71, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[3-(2,6-dimethylmorpholin-4-yl)propyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 10101479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).