3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide

C30H34N2O6 — CID 11656526

About 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide

3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide (PubChem CID 11656526) has the molecular formula C30H34N2O6 and a molecular weight of 518.61 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide.

Molecular Properties

• Compound Name: 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide
• PubChem CID: 11656526
• Molecular Formula: C30H34N2O6
• Molecular Weight: 518.61 g/mol
• Exact Mass: 518.24
• IUPAC Name: 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide
• SMILES: COc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1NC(=O)CCc1ccc(OC)c(OC)c1
• InChI: InChI=1S/C30H34N2O6/c1-34-26-10-7-22(21-6-9-25-23(17-21)19-37-30(38-25)12-14-31-15-13-30)18-24(26)32-29(33)11-5-20-4-8-27(35-2)28(16-20)36-3/h4,6-10,16-18,31H,5,11-15,19H2,1-3H3,(H,32,33)
• InChIKey: GPAVCYFFPBWVJO-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 87.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.61
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide?

The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide (CID 11656526) is 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide.

What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide?

The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide is COc1ccc(-c2ccc3c(c2)COC2(CCNCC2)O3)cc1NC(=O)CCc1ccc(OC)c(OC)c1.

What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide?

The InChIKey is GPAVCYFFPBWVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N2O6/c1-34-26-10-7-22(21-6-9-25-23(17-21)19-37-30(38-25)12-14-31-15-13-30)18-24(26)32-29(33)11-5-20-4-8-27(35-2)28(16-20)36-3/h4,6-10,16-18,31H,5,11-15,19H2,1-3H3,(H,32,33).

What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide?

3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide has a molecular weight of 518.61 g/mol, XLogP of 4.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-spiro[4H-1,3-benzodioxine-2,4'-piperidine]-6-ylphenyl)propanamide is sourced from PubChem (CID 11656526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).