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

C22H22N2O4 — CID 166855298

IUPAC3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CCOCc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H22N2O4/c25-20-9-8-19(21(26)23-20)24-13-17-12-15(6-7-18(17)22(24)27)10-11-28-14-16-4-2-1-3-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25,26)
InChIKeyINMWBGXXKUADTD-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.21
Rot. Bonds6

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

3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166855298) has the molecular formula C22H22N2O4 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166855298
Molecular FormulaC22H22N2O4
Molecular Weight378.43 g/mol
Exact Mass378.16
IUPAC Name3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(CCOCc4ccccc4)ccc3C2=O)C(=O)N1
InChIInChI=1S/C22H22N2O4/c25-20-9-8-19(21(26)23-20)24-13-17-12-15(6-7-18(17)22(24)27)10-11-28-14-16-4-2-1-3-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25,26)
InChIKeyINMWBGXXKUADTD-UHFFFAOYSA-N
XLogP2.21
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-(2-phenylmethoxyethyl)isoindole-1,3-dione
CID 146411095
3-[3-oxo-6-[4-(2-phenylmethoxyethyl)piperidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione;4-(2-phenylmethoxyethyl)piperidine
CID 155229327
3-[3-oxo-6-[[[(1R,2R)-2-phenylmethoxycyclohexyl]amino]methyl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168960604
7-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]heptanoic acid
CID 155177635
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005
[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]methyl trifluoromethanesulfonate
CID 168872676
3-[5-fluoro-3-oxo-6-[1-(3-phenylmethoxypropyl)piperidin-4-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169309524
3-(5-methoxy-3-oxo-6-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342515
3-[6-[[[3-(methylaminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167736958
3-[6-[[[3-(aminomethyl)phenyl]methylamino]methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167730252
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[3-oxo-7-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 168899332

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166855298) is 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3cc(CCOCc4ccccc4)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is INMWBGXXKUADTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4/c25-20-9-8-19(21(26)23-20)24-13-17-12-15(6-7-18(17)22(24)27)10-11-28-14-16-4-2-1-3-5-16/h1-7,12,19H,8-11,13-14H2,(H,23,25,26).
What are the key properties of 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 378.43 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166855298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).