3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C18H20N2O4 — CID 146300156

IUPAC3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C18H20N2O4/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22)
InChIKeyUQBCQSOMZXRUSU-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.77
Rot. Bonds3

About 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 146300156) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID146300156
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C18H20N2O4/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22)
InChIKeyUQBCQSOMZXRUSU-UHFFFAOYSA-N
XLogP1.77
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.77
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-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
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-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166468834
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469154
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
3-[6-[(2R)-2-aminocyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392031
3-[6-[(1S)-2-methylcyclohexyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170104196
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-(4-ethoxycyclohexyl)azetidine
CID 166470125
4-(azetidin-3-yl)morpholine;3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166469948

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 146300156) is 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is UQBCQSOMZXRUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c21-16-8-7-15(17(22)19-16)20-10-11-9-13(5-6-14(11)18(20)23)24-12-3-1-2-4-12/h5-6,9,12,15H,1-4,7-8,10H2,(H,19,21,22).
What are the key properties of 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 328.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 146300156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).