3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

C24H31N3O5 — CID 147586748

IUPAC3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CN([C@@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C24H31N3O5/c1-14(2)31-17-12-26(13-17)19-4-3-5-21(19)32-16-6-7-18-15(10-16)11-27(24(18)30)20-8-9-22(28)25-23(20)29/h6-7,10,14,17,19-21H,3-5,8-9,11-13H2,1-2H3,(H,25,28,29)/t19-,20?,21-/m1/s1
InChIKeyFXMGXCCOFAPGPH-GIBKCMNESA-N
MW441.53 g/mol
LogP1.86
Rot. Bonds6

About 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 147586748) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID147586748
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CN([C@@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C24H31N3O5/c1-14(2)31-17-12-26(13-17)19-4-3-5-21(19)32-16-6-7-18-15(10-16)11-27(24(18)30)20-8-9-22(28)25-23(20)29/h6-7,10,14,17,19-21H,3-5,8-9,11-13H2,1-2H3,(H,25,28,29)/t19-,20?,21-/m1/s1
InChIKeyFXMGXCCOFAPGPH-GIBKCMNESA-N
XLogP1.86
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 51.86
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-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296654
3-[6-[2-(3-methoxyazetidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296848
3-[6-[(1R,2S)-2-(3-ethoxyazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159341486
3-[6-[(1R,2S)-2-[3-(1,5-difluoropentan-3-yloxy)azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147565010
3-[6-[(1R,2S)-2-(3-cyclopropylazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167309956
3-[6-[2-(3-hydroxyazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296643
3-[6-[(1S,2R)-2-(3-cyclopropylazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167309958
3-[6-[(1R,2R)-2-[(3S)-3-methoxypyrrolidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146300426
3-[6-[(1S,2S)-2-(3-methoxypyrrolidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175132705
3-[3-oxo-6-[(1R)-2-pyrrolidin-1-ylcyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146784178
3-[6-[2-[3-(2-methoxyphenoxy)azetidin-1-yl]cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296609
3-[6-[(1S,2S)-2-(3-cyclopropylazetidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166470176

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 147586748) is 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)OC1CN([C@@H]2CCC[C@H]2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FXMGXCCOFAPGPH-GIBKCMNESA-N. The full InChI is InChI=1S/C24H31N3O5/c1-14(2)31-17-12-26(13-17)19-4-3-5-21(19)32-16-6-7-18-15(10-16)11-27(24(18)30)20-8-9-22(28)25-23(20)29/h6-7,10,14,17,19-21H,3-5,8-9,11-13H2,1-2H3,(H,25,28,29)/t19-,20?,21-/m1/s1.
What are the key properties of 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 441.53 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 147586748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).