(2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one

C30H38N4O2 — CID 71263086

About (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one

(2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one (PubChem CID 71263086) has the molecular formula C30H38N4O2 and a molecular weight of 486.66 g/mol. Its IUPAC name is (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one.

Molecular Properties

• Compound Name: (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one
• PubChem CID: 71263086
• Molecular Formula: C30H38N4O2
• Molecular Weight: 486.66 g/mol
• Exact Mass: 486.30
• IUPAC Name: (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one
• SMILES: Cc1cccc(N2C(=O)n3cc(C(C)C)nc3[C@]23CCN(Cc2cccc(OC(C)C)c2)[C@@H](C)C3)c1
• InChI: InChI=1S/C30H38N4O2/c1-20(2)27-19-33-28(31-27)30(34(29(33)35)25-11-7-9-22(5)15-25)13-14-32(23(6)17-30)18-24-10-8-12-26(16-24)36-21(3)4/h7-12,15-16,19-21,23H,13-14,17-18H2,1-6H3/t23-,30+/m0/s1
• InChIKey: FTDQYNCRUVBBRB-YUDQIZAISA-N
• XLogP: 6.47
• TPSA: 50.60 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.66
LogP ≤ 5	6.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one?

The IUPAC name of (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one (CID 71263086) is (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one.

What is the SMILES notation for (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one?

The canonical SMILES for (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one is Cc1cccc(N2C(=O)n3cc(C(C)C)nc3[C@]23CCN(Cc2cccc(OC(C)C)c2)[C@@H](C)C3)c1.

What is the InChIKey of (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one?

The InChIKey is FTDQYNCRUVBBRB-YUDQIZAISA-N. The full InChI is InChI=1S/C30H38N4O2/c1-20(2)27-19-33-28(31-27)30(34(29(33)35)25-11-7-9-22(5)15-25)13-14-32(23(6)17-30)18-24-10-8-12-26(16-24)36-21(3)4/h7-12,15-16,19-21,23H,13-14,17-18H2,1-6H3/t23-,30+/m0/s1.

What are the key properties of (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one?

(2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one has a molecular weight of 486.66 g/mol, XLogP of 6.47, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2'S,7R)-2'-methyl-6-(3-methylphenyl)-2-propan-2-yl-1'-[(3-propan-2-yloxyphenyl)methyl]spiro[imidazo[1,2-c]imidazole-7,4'-piperidine]-5-one is sourced from PubChem (CID 71263086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).