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

C25H33N3O5 — CID 146296654

IUPAC3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CN(C2CCCCC2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C25H33N3O5/c1-15(2)32-18-13-27(14-18)20-5-3-4-6-22(20)33-17-7-8-19-16(11-17)12-28(25(19)31)21-9-10-23(29)26-24(21)30/h7-8,11,15,18,20-22H,3-6,9-10,12-14H2,1-2H3,(H,26,29,30)
InChIKeyJAHNGALAMKPFOR-UHFFFAOYSA-N
MW455.56 g/mol
LogP2.25
Rot. Bonds6

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

3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146296654) has the molecular formula C25H33N3O5 and a molecular weight of 455.56 g/mol. Its IUPAC name is 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146296654
Molecular FormulaC25H33N3O5
Molecular Weight455.56 g/mol
Exact Mass455.24
IUPAC Name3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCC(C)OC1CN(C2CCCCC2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1
InChIInChI=1S/C25H33N3O5/c1-15(2)32-18-13-27(14-18)20-5-3-4-6-22(20)33-17-7-8-19-16(11-17)12-28(25(19)31)21-9-10-23(29)26-24(21)30/h7-8,11,15,18,20-22H,3-6,9-10,12-14H2,1-2H3,(H,26,29,30)
InChIKeyJAHNGALAMKPFOR-UHFFFAOYSA-N
XLogP2.25
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
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-[3-oxo-6-[(1R,2R)-2-(3-propan-2-yloxyazetidin-1-yl)cyclopentyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147586748
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-(1,5-difluoropentan-3-yloxy)azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 147565010
3-[6-[(1S,2S)-2-(3-cyclopropylazetidin-1-yl)cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166470176
3-[6-[(1R,2S)-2-(3-ethoxyazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159341486
3-[3-oxo-6-[(1S,2R)-2-(3-phenylmethoxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 149285797
3-[6-[2-(3-hydroxyazetidin-1-yl)cyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296643
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-[(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-[6-[(1S,2R)-2-[3-(4-ethoxycyclohexyl)azetidin-1-yl]cyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166470079

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146296654) is 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is CC(C)OC1CN(C2CCCCC2Oc2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)C1.
What is the InChIKey of 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is JAHNGALAMKPFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O5/c1-15(2)32-18-13-27(14-18)20-5-3-4-6-22(20)33-17-7-8-19-16(11-17)12-28(25(19)31)21-9-10-23(29)26-24(21)30/h7-8,11,15,18,20-22H,3-6,9-10,12-14H2,1-2H3,(H,26,29,30).
What are the key properties of 3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 455.56 g/mol, XLogP of 2.25, 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-[2-(3-propan-2-yloxyazetidin-1-yl)cyclohexyl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146296654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).