3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione

C21H20N2O5 — CID 167342515

IUPAC3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1cc2c(cc1OCc1ccccc1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H20N2O5/c1-27-17-10-15-14(9-18(17)28-12-13-5-3-2-4-6-13)11-23(21(15)26)16-7-8-19(24)22-20(16)25/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24,25)
InChIKeyXFVYEDWAYJCURL-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.04
Rot. Bonds5

About 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione

3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 167342515) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID167342515
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCOc1cc2c(cc1OCc1ccccc1)CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C21H20N2O5/c1-27-17-10-15-14(9-18(17)28-12-13-5-3-2-4-6-13)11-23(21(15)26)16-7-8-19(24)22-20(16)25/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24,25)
InChIKeyXFVYEDWAYJCURL-UHFFFAOYSA-N
XLogP2.04
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione with MolForge

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Related Compounds

3-methoxy-2-phenylmethoxy-7,12,12a,14-tetrahydroisoquinolino[2,3-b][2]benzazepine-5,13-dione
CID 152917183
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417
3-[6-[[1-(4-methoxy-3-phenylmethoxybenzoyl)piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500654
3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855298
3-[6-[[1-[(6-methoxy-5-phenylmethoxy-2H-indazol-3-yl)methyl]piperidin-2-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156500704
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
3-[5-[(3-hydroxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170905195
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
3-[3-oxo-7-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168899332
3-[3-oxo-7-(2-phenylethoxy)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 25015584
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione (CID 167342515) is 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione is COc1cc2c(cc1OCc1ccccc1)CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is XFVYEDWAYJCURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-27-17-10-15-14(9-18(17)28-12-13-5-3-2-4-6-13)11-23(21(15)26)16-7-8-19(24)22-20(16)25/h2-6,9-10,16H,7-8,11-12H2,1H3,(H,22,24,25).
What are the key properties of 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 380.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 167342515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).