2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide

C30H30Cl2N4O — CID 10098577

About 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide

2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide (PubChem CID 10098577) has the molecular formula C30H30Cl2N4O and a molecular weight of 533.50 g/mol. Its IUPAC name is 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide.

Molecular Properties

• Compound Name: 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
• PubChem CID: 10098577
• Molecular Formula: C30H30Cl2N4O
• Molecular Weight: 533.50 g/mol
• Exact Mass: 532.18
• IUPAC Name: 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide
• SMILES: CCN1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CCN2CC(=O)Nc1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C30H30Cl2N4O/c1-2-35-12-9-30(10-13-35)28-7-6-23(22-5-3-4-21(14-22)19-33)15-24(28)8-11-36(30)20-29(37)34-27-17-25(31)16-26(32)18-27/h3-7,14-18H,2,8-13,20H2,1H3,(H,34,37)
• InChIKey: WGWXPLYSSPRLBQ-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 59.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.50
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide?

The IUPAC name of 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide (CID 10098577) is 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide.

What is the SMILES notation for 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide?

The canonical SMILES for 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide is CCN1CCC2(CC1)c1ccc(-c3cccc(C#N)c3)cc1CCN2CC(=O)Nc1cc(Cl)cc(Cl)c1.

What is the InChIKey of 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide?

The InChIKey is WGWXPLYSSPRLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N4O/c1-2-35-12-9-30(10-13-35)28-7-6-23(22-5-3-4-21(14-22)19-33)15-24(28)8-11-36(30)20-29(37)34-27-17-25(31)16-26(32)18-27/h3-7,14-18H,2,8-13,20H2,1H3,(H,34,37).

What are the key properties of 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide?

2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide has a molecular weight of 533.50 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(3-cyanophenyl)-1'-ethylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-2-yl]-N-(3,5-dichlorophenyl)acetamide is sourced from PubChem (CID 10098577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).