3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C26H33N3O5 — CID 146296646

IUPAC3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4N4CCC5(CCOCC5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H33N3O5/c30-23-7-6-21(24(31)27-23)29-15-17-14-18(4-5-19(17)25(29)32)34-22-3-1-2-20(22)28-11-8-26(16-28)9-12-33-13-10-26/h4-5,14,20-22H,1-3,6-13,15-16H2,(H,27,30,31)
InChIKeyLOGWUXXOOBDZFA-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.25
Rot. Bonds4

About 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146296646) has the molecular formula C26H33N3O5 and a molecular weight of 467.57 g/mol. Its IUPAC name is 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146296646
Molecular FormulaC26H33N3O5
Molecular Weight467.57 g/mol
Exact Mass467.24
IUPAC Name3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4N4CCC5(CCOCC5)C4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C26H33N3O5/c30-23-7-6-21(24(31)27-23)29-15-17-14-18(4-5-19(17)25(29)32)34-22-3-1-2-20(22)28-11-8-26(16-28)9-12-33-13-10-26/h4-5,14,20-22H,1-3,6-13,15-16H2,(H,27,30,31)
InChIKeyLOGWUXXOOBDZFA-UHFFFAOYSA-N
XLogP2.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[6-[(1S,2R)-2-(1,4-oxazepan-4-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149098093
3-[6-[(1R,2S)-2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 151167723
3-[3-oxo-6-[(1R)-2-pyrrolidin-1-ylcyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146784178
3-[6-[(2R)-2-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392053
3-[6-[2-(azetidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;oxane
CID 166469916
3-[3-oxo-6-[(1S,2R)-2-piperidin-1-ylcyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300158
5-[2-(2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-2-(2-methylidene-6-oxopiperidin-3-yl)-3H-isoindol-1-one
CID 170119348
2-(2-hydroxy-6-oxo-4,5-dihydro-3H-pyridin-1-ium-3-yl)-5-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3H-isoindol-1-one
CID 163748885
3-[6-[(1R,2R)-2-(4,4-difluoropiperidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175619859
3-[6-[(1R,2S)-2-(4-fluoropiperidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175619792
3-[6-[2-[3-hydroxy-3-(oxan-4-yl)azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166469942
3-[6-[(1S,2R)-2-(3-cyclopropylazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167309958

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146296646) is 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCCC4N4CCC5(CCOCC5)C4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is LOGWUXXOOBDZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O5/c30-23-7-6-21(24(31)27-23)29-15-17-14-18(4-5-19(17)25(29)32)34-22-3-1-2-20(22)28-11-8-26(16-28)9-12-33-13-10-26/h4-5,14,20-22H,1-3,6-13,15-16H2,(H,27,30,31).
What are the key properties of 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 467.57 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-(8-oxa-2-azaspiro[4.5]decan-2-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146296646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).