1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one

C27H34N4O — CID 175966637

About 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one

1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 175966637) has the molecular formula C27H34N4O and a molecular weight of 430.60 g/mol. Its IUPAC name is 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

• Compound Name: 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
• PubChem CID: 175966637
• Molecular Formula: C27H34N4O
• Molecular Weight: 430.60 g/mol
• Exact Mass: 430.27
• IUPAC Name: 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
• SMILES: CC1(C)CCN(C2CC(N3C(=O)C4(CCN(c5ccccn5)CC4)c4ccccc43)C2)C1
• InChI: InChI=1S/C27H34N4O/c1-26(2)10-14-30(19-26)20-17-21(18-20)31-23-8-4-3-7-22(23)27(25(31)32)11-15-29(16-12-27)24-9-5-6-13-28-24/h3-9,13,20-21H,10-12,14-19H2,1-2H3
• InChIKey: HZUGNXHSYADDDV-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 39.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.60
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one?

The IUPAC name of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 175966637) is 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one.

What is the SMILES notation for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one?

The canonical SMILES for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one is CC1(C)CCN(C2CC(N3C(=O)C4(CCN(c5ccccn5)CC4)c4ccccc43)C2)C1.

What is the InChIKey of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one?

The InChIKey is HZUGNXHSYADDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O/c1-26(2)10-14-30(19-26)20-17-21(18-20)31-23-8-4-3-7-22(23)27(25(31)32)11-15-29(16-12-27)24-9-5-6-13-28-24/h3-9,13,20-21H,10-12,14-19H2,1-2H3.

What are the key properties of 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one?

1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 430.60 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 175966637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).