N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid

C32H36FN3O7 — CID 19689966

About N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid (PubChem CID 19689966) has the molecular formula C32H36FN3O7 and a molecular weight of 593.65 g/mol. Its IUPAC name is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid.

Molecular Properties

• Compound Name: N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid
• PubChem CID: 19689966
• Molecular Formula: C32H36FN3O7
• Molecular Weight: 593.65 g/mol
• Exact Mass: 593.25
• IUPAC Name: N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid
• SMILES: CNCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1.O=C(O)C(=O)O
• InChI: InChI=1S/C30H34FN3O3.C2H2O4/c1-32-21-22-7-9-25(10-8-22)30(36)34(27-5-3-4-6-28(27)37-2)20-19-33-17-15-24(16-18-33)29(35)23-11-13-26(31)14-12-23;3-1(4)2(5)6/h3-14,24,32H,15-21H2,1-2H3;(H,3,4)(H,5,6)
• InChIKey: OFEJRTJTTKLKKO-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 136.48 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.65
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
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-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid?

The IUPAC name of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid (CID 19689966) is N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid.

What is the SMILES notation for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid?

The canonical SMILES for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid is CNCc1ccc(C(=O)N(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)c2ccccc2OC)cc1.O=C(O)C(=O)O.

What is the InChIKey of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid?

The InChIKey is OFEJRTJTTKLKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34FN3O3.C2H2O4/c1-32-21-22-7-9-25(10-8-22)30(36)34(27-5-3-4-6-28(27)37-2)20-19-33-17-15-24(16-18-33)29(35)23-11-13-26(31)14-12-23;3-1(4)2(5)6/h3-14,24,32H,15-21H2,1-2H3;(H,3,4)(H,5,6).

What are the key properties of N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid?

N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid has a molecular weight of 593.65 g/mol, XLogP of 3.95, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-N-(2-methoxyphenyl)-4-(methylaminomethyl)benzamide;oxalic acid is sourced from PubChem (CID 19689966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).