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

C20H26N2O4 — CID 166875808

IUPAC3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCCC(CC)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N2O4/c1-3-5-6-14(4-2)26-15-7-8-16-13(11-15)12-22(20(16)25)17-9-10-18(23)21-19(17)24/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3,(H,21,23,24)
InChIKeyQWIPZGGVLFHPTE-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.80
Rot. Bonds7

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

3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 166875808) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID166875808
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCCCCC(CC)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C20H26N2O4/c1-3-5-6-14(4-2)26-15-7-8-16-13(11-15)12-22(20(16)25)17-9-10-18(23)21-19(17)24/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3,(H,21,23,24)
InChIKeyQWIPZGGVLFHPTE-UHFFFAOYSA-N
XLogP2.80
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-[6-[(3S)-5,5-dimethylheptan-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170120744
3-[6-[1-(1-ethylpyrrolidin-2-yl)propoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156501059
3-[6-[(4-methylcyclohexyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155331384
3-[6-[(1R)-1-[(2S)-1-ethylpiperidin-2-yl]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500997
3-[6-(2-bromoethoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167272836
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-[(3R)-1-[(2S)-butan-2-yl]-4,4-dimethylpiperidin-3-yl]oxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166591907
tert-butyl 2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-5-yl]oxy]acetate
CID 178169099
3-(6-cyclohexyloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;ethane
CID 153391960
3-[6-[2-[2-(3-hydroxypropoxy)ethoxy]ethoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165380108
3-[3-oxo-6-(4-pentylpiperazin-1-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 178099790

Frequently Asked Questions

What is the IUPAC name of 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 166875808) is 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CCCCC(CC)Oc1ccc2c(c1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is QWIPZGGVLFHPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-5-6-14(4-2)26-15-7-8-16-13(11-15)12-22(20(16)25)17-9-10-18(23)21-19(17)24/h7-8,11,14,17H,3-6,9-10,12H2,1-2H3,(H,21,23,24).
What are the key properties of 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 358.44 g/mol, XLogP of 2.80, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-heptan-3-yloxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 166875808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).