1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

C25H35N3O3 — CID 175967093

IUPAC1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC1(C)CN(C2CC(N3C(=O)C4(CCN(C5COC5)CC4)c4ccccc43)C2)CC1O
InChIInChI=1S/C25H35N3O3/c1-24(2)16-27(13-22(24)29)17-11-18(12-17)28-21-6-4-3-5-20(21)25(23(28)30)7-9-26(10-8-25)19-14-31-15-19/h3-6,17-19,22,29H,7-16H2,1-2H3
InChIKeyXNYCDRDSLVXXSH-UHFFFAOYSA-N
MW425.57 g/mol
LogP2.00
Rot. Bonds3

About 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one

1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (PubChem CID 175967093) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
PubChem CID175967093
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one
SMILESCC1(C)CN(C2CC(N3C(=O)C4(CCN(C5COC5)CC4)c4ccccc43)C2)CC1O
InChIInChI=1S/C25H35N3O3/c1-24(2)16-27(13-22(24)29)17-11-18(12-17)28-21-6-4-3-5-20(21)25(23(28)30)7-9-26(10-8-25)19-14-31-15-19/h3-6,17-19,22,29H,7-16H2,1-2H3
InChIKeyXNYCDRDSLVXXSH-UHFFFAOYSA-N
XLogP2.00
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 153498480
1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-pyridin-2-ylspiro[indole-3,4'-piperidine]-2-one
CID 175966637
1-[3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)cyclobutyl]-1'-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 153498512
1'-(oxetan-3-yl)spiro[1H-indole-3,4'-piperidine]-2-one
CID 141437837
1-[3-(2-oxa-5-azabicyclo[2.2.1]hept-1(6)-en-5-yl)cyclobutyl]-1'-(oxetan-3-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 174036350
1'-acetyl-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 149445666
4,4-dimethyl-1-(oxan-3-yl)pyrrolidin-3-ol
CID 130909151
1-[1'-(oxetan-3-yl)spiro[2,4-dihydroquinoline-3,4'-piperidine]-1-yl]ethanone
CID 134788666
1-[3-(5-azaspiro[2.4]heptan-5-yl)cyclobutyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 149248292
1-methyl-1'-(oxane-4-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 91914380
1-[3-(3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-[(2R)-oxolane-2-carbonyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 153498487
1'-(4-fluoro-2-methylidenebutanoyl)-1-(3-piperidin-1-ylcyclobutyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)spiro[indole-3,4'-piperidine]-2-one
CID 174036352

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one (CID 175967093) is 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is CC1(C)CN(C2CC(N3C(=O)C4(CCN(C5COC5)CC4)c4ccccc43)C2)CC1O.
What is the InChIKey of 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
The InChIKey is XNYCDRDSLVXXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-24(2)16-27(13-22(24)29)17-11-18(12-17)28-21-6-4-3-5-20(21)25(23(28)30)7-9-26(10-8-25)19-14-31-15-19/h3-6,17-19,22,29H,7-16H2,1-2H3.
What are the key properties of 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one?
1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one has a molecular weight of 425.57 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxy-3,3-dimethylpyrrolidin-1-yl)cyclobutyl]-1'-(oxetan-3-yl)spiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 175967093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).