N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

C34H47FN2O8 — CID 10394246

About N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid

N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (PubChem CID 10394246) has the molecular formula C34H47FN2O8 and a molecular weight of 630.75 g/mol. Its IUPAC name is N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

Molecular Properties

• Compound Name: N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid
• PubChem CID: 10394246
• Molecular Formula: C34H47FN2O8
• Molecular Weight: 630.75 g/mol
• Exact Mass: 630.33
• IUPAC Name: N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]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(CCC3OCC(C)(C)CO3)CC2)cc1.O=C(O)C(=O)O
• InChI: InChI=1S/C32H45FN2O4.C2H2O4/c1-24(2)21-37-29-11-7-25(8-12-29)19-30(36)35(20-26-5-9-27(33)10-6-26)28-13-16-34(17-14-28)18-15-31-38-22-32(3,4)23-39-31;3-1(4)2(5)6/h5-12,24,28,31H,13-23H2,1-4H3;(H,3,4)(H,5,6)
• InChIKey: IRDJWKVKKVIDDY-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 125.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	630.75
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The IUPAC name of N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid (CID 10394246) is N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid.

What is the SMILES notation for N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The canonical SMILES for N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]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(CCC3OCC(C)(C)CO3)CC2)cc1.O=C(O)C(=O)O.

What is the InChIKey of N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

The InChIKey is IRDJWKVKKVIDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45FN2O4.C2H2O4/c1-24(2)21-37-29-11-7-25(8-12-29)19-30(36)35(20-26-5-9-27(33)10-6-26)28-13-16-34(17-14-28)18-15-31-38-22-32(3,4)23-39-31;3-1(4)2(5)6/h5-12,24,28,31H,13-23H2,1-4H3;(H,3,4)(H,5,6).

What are the key properties of N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid?

N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid has a molecular weight of 630.75 g/mol, XLogP of 4.84, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-(5,5-dimethyl-1,3-dioxan-2-yl)ethyl]piperidin-4-yl]-N-[(4-fluorophenyl)methyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;oxalic acid is sourced from PubChem (CID 10394246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).