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

C27H34N4O — CID 175966637

IUPAC1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC1(C)CCN(C2CC(N3C(=O)C4(CCN(c5ccccn5)CC4)c4ccccc43)C2)C1
InChIInChI=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
InChIKeyHZUGNXHSYADDDV-UHFFFAOYSA-N
MW430.60 g/mol
LogP4.23
Rot. Bonds3

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 Name1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID175966637
Molecular FormulaC27H34N4O
Molecular Weight430.60 g/mol
Exact Mass430.27
IUPAC Name1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESCC1(C)CCN(C2CC(N3C(=O)C4(CCN(c5ccccn5)CC4)c4ccccc43)C2)C1
InChIInChI=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
InChIKeyHZUGNXHSYADDDV-UHFFFAOYSA-N
XLogP4.23
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.60
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).