3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione

C18H21N3O4 — CID 134413864

IUPAC3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C18H21N3O4/c22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12/h1-2,9,12,15,19H,3-8,10H2,(H,20,22,23)
InChIKeyPYCJTKYZWSAZPO-UHFFFAOYSA-N
MW343.38 g/mol
LogP0.58
Rot. Bonds3

About 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 134413864) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID134413864
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C18H21N3O4/c22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12/h1-2,9,12,15,19H,3-8,10H2,(H,20,22,23)
InChIKeyPYCJTKYZWSAZPO-UHFFFAOYSA-N
XLogP0.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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
CID 146300156
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-[1-(2-piperidin-4-ylethyl)piperidin-4-yl]oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 172592012
3-[6-(azepan-3-yloxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 175487584
3-[6-(2-hydroxycyclopentyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146296642
3-(6-cyclopentyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166468834
3-[6-[(3R,5R)-5-ethoxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154242
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;3-phenylazetidine
CID 166469154
3-[6-[(2R)-2-aminocyclopentyl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153392031
3-[3-oxo-6-(2-oxocyclohexyl)oxy-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166468920
3-[6-[(3R,5R)-1,5-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154234

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione (CID 134413864) is 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(OC4CCNCC4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is PYCJTKYZWSAZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-16-4-3-15(17(23)20-16)21-10-11-9-13(1-2-14(11)18(21)24)25-12-5-7-19-8-6-12/h1-2,9,12,15,19H,3-8,10H2,(H,20,22,23).
What are the key properties of 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 343.38 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 134413864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).