3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane

C21H28N2O4 — CID 153391960

IUPAC3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H22N2O4.C2H6/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-2H3
InChIKeyDOWFOSGJGFTSQA-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.19
Rot. Bonds3

About 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane

3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane (PubChem CID 153391960) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane.

Molecular Properties

Compound Name3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
PubChem CID153391960
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
SMILESCC.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C19H22N2O4.C2H6/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-2H3
InChIKeyDOWFOSGJGFTSQA-UHFFFAOYSA-N
XLogP3.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391942
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 146300156
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469154
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(4-ethoxycyclohexyl)azetidine
CID 166470125
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166468834
3-[6-[(1S)-2-methylcyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170104196
3-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166468920
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166469948
3-[6-[1-(2-methylpropyl)piperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168961803

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane?
The IUPAC name of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane (CID 153391960) is 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane.
What is the SMILES notation for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane?
The canonical SMILES for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane is CC.O=C1CCC(N2Cc3cc(OC4CCCCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane?
The InChIKey is DOWFOSGJGFTSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4.C2H6/c22-17-9-8-16(18(23)20-17)21-11-12-10-14(6-7-15(12)19(21)24)25-13-4-2-1-3-5-13;1-2/h6-7,10,13,16H,1-5,8-9,11H2,(H,20,22,23);1-2H3.
What are the key properties of 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane?
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane has a molecular weight of 372.47 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane is sourced from PubChem (CID 153391960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).