3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one

C26H34N2O — CID 23826004

About 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one

3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one (PubChem CID 23826004) has the molecular formula C26H34N2O and a molecular weight of 390.57 g/mol. Its IUPAC name is 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one.

Molecular Properties

• Compound Name: 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
• PubChem CID: 23826004
• Molecular Formula: C26H34N2O
• Molecular Weight: 390.57 g/mol
• Exact Mass: 390.27
• IUPAC Name: 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one
• SMILES: Cc1cccc(CN2CCC3(CC2)CN(C(=O)CC(C)C)c2ccc(C)cc23)c1
• InChI: InChI=1S/C26H34N2O/c1-19(2)14-25(29)28-18-26(23-16-21(4)8-9-24(23)28)10-12-27(13-11-26)17-22-7-5-6-20(3)15-22/h5-9,15-16,19H,10-14,17-18H2,1-4H3
• InChIKey: GHPTURVYOVYXJA-UHFFFAOYSA-N
• XLogP: 5.23
• TPSA: 23.55 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.57
LogP ≤ 5	5.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one?

The IUPAC name of 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one (CID 23826004) is 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one.

What is the SMILES notation for 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one?

The canonical SMILES for 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one is Cc1cccc(CN2CCC3(CC2)CN(C(=O)CC(C)C)c2ccc(C)cc23)c1.

What is the InChIKey of 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one?

The InChIKey is GHPTURVYOVYXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O/c1-19(2)14-25(29)28-18-26(23-16-21(4)8-9-24(23)28)10-12-27(13-11-26)17-22-7-5-6-20(3)15-22/h5-9,15-16,19H,10-14,17-18H2,1-4H3.

What are the key properties of 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one?

3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one has a molecular weight of 390.57 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-1-[5-methyl-1'-[(3-methylphenyl)methyl]spiro[2H-indole-3,4'-piperidine]-1-yl]butan-1-one is sourced from PubChem (CID 23826004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).