3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C21H26N2O4 — CID 154670624

IUPAC3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCC1(CC)CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C21H26N2O4/c1-3-21(4-2)10-15(11-21)27-14-6-5-13-12-23(20(26)16(13)9-14)17-7-8-18(24)22-19(17)25/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3,(H,22,24,25)
InChIKeyPSRGQKAPORJQDG-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.80
Rot. Bonds5

About 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 154670624) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID154670624
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESCCC1(CC)CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1
InChIInChI=1S/C21H26N2O4/c1-3-21(4-2)10-15(11-21)27-14-6-5-13-12-23(20(26)16(13)9-14)17-7-8-18(24)22-19(17)25/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3,(H,22,24,25)
InChIKeyPSRGQKAPORJQDG-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
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-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-[(3R,5R)-5-ethoxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154242
3-(3-oxo-6-piperidin-4-yloxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 134413864
3-[6-[(3S,5R)-1-ethyl-5-methylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166591931
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
3-[6-[(3R,5S)-1-ethyl-5-hydroxypiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166154256
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
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-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 154670624) is 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is CCC1(CC)CC(Oc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3)C1.
What is the InChIKey of 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is PSRGQKAPORJQDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c1-3-21(4-2)10-15(11-21)27-14-6-5-13-12-23(20(26)16(13)9-14)17-7-8-18(24)22-19(17)25/h5-6,9,15,17H,3-4,7-8,10-12H2,1-2H3,(H,22,24,25).
What are the key properties of 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 370.45 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,3-diethylcyclobutyl)oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 154670624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).