1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

C24H33BrN6O — CID 143498458

About 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide

1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (PubChem CID 143498458) has the molecular formula C24H33BrN6O and a molecular weight of 501.47 g/mol. Its IUPAC name is 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

Molecular Properties

• Compound Name: 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
• PubChem CID: 143498458
• Molecular Formula: C24H33BrN6O
• Molecular Weight: 501.47 g/mol
• Exact Mass: 500.19
• IUPAC Name: 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide
• SMILES: CN(C)C(=O)N1CC2(CCN(C3CCN(C4=NC=C(Br)NC4)CC3)CC2)c2ccccc21
• InChI: InChI=1S/C24H33BrN6O/c1-28(2)23(32)31-17-24(19-5-3-4-6-20(19)31)9-13-29(14-10-24)18-7-11-30(12-8-18)22-16-26-21(25)15-27-22/h3-6,15,18,26H,7-14,16-17H2,1-2H3
• InChIKey: CMNGGOCSCSBFIW-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 54.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The IUPAC name of 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide (CID 143498458) is 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide.

What is the SMILES notation for 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The canonical SMILES for 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is CN(C)C(=O)N1CC2(CCN(C3CCN(C4=NC=C(Br)NC4)CC3)CC2)c2ccccc21.

What is the InChIKey of 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?

The InChIKey is CMNGGOCSCSBFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33BrN6O/c1-28(2)23(32)31-17-24(19-5-3-4-6-20(19)31)9-13-29(14-10-24)18-7-11-30(12-8-18)22-16-26-21(25)15-27-22/h3-6,15,18,26H,7-14,16-17H2,1-2H3.

What are the key properties of 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide?

1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide has a molecular weight of 501.47 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[1-(6-bromo-1,2-dihydropyrazin-3-yl)piperidin-4-yl]-N,N-dimethylspiro[2H-indole-3,4'-piperidine]-1-carboxamide is sourced from PubChem (CID 143498458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).