3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

C26H26N4O6 — CID 146666422

IUPAC3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4cn(-c5ccc(O[C@H]6CCOC6)cc5)[nH]4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H26N4O6/c31-24-9-8-22(25(32)27-24)29-13-21-20(26(29)33)2-1-3-23(21)35-14-16-12-30(28-16)17-4-6-18(7-5-17)36-19-10-11-34-15-19/h1-7,12,19,22,28H,8-11,13-15H2,(H,27,31,32)/t19-,22?/m0/s1
InChIKeyFEYFJAAWPHTVIM-YDNXMHBPSA-N
MW490.52 g/mol
LogP2.31
Rot. Bonds7

About 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione

3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 146666422) has the molecular formula C26H26N4O6 and a molecular weight of 490.52 g/mol. Its IUPAC name is 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID146666422
Molecular FormulaC26H26N4O6
Molecular Weight490.52 g/mol
Exact Mass490.19
IUPAC Name3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4cn(-c5ccc(O[C@H]6CCOC6)cc5)[nH]4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C26H26N4O6/c31-24-9-8-22(25(32)27-24)29-13-21-20(26(29)33)2-1-3-23(21)35-14-16-12-30(28-16)17-4-6-18(7-5-17)36-19-10-11-34-15-19/h1-7,12,19,22,28H,8-11,13-15H2,(H,27,31,32)/t19-,22?/m0/s1
InChIKeyFEYFJAAWPHTVIM-YDNXMHBPSA-N
XLogP2.31
TPSA114.89 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-[7-[[1-[4-(oxan-4-yloxy)phenyl]triazol-4-yl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162770979
3-[3-oxo-7-[[2-(pyridin-4-ylmethyl)-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 146666946
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
3-[7-(5-hydroxypentoxy)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 165166586
3-[7-[[4-[(3,3-dideuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902584
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
3-[7-[[4-[(2,2,3,5,6,6-hexadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582970
3-[3-oxo-7-[[4-[(2,2,3-trideuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902677
3-[7-[(4-methylsulfonylphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354517
3-[7-[(3-methoxyphenyl)methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 53354514

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione (CID 146666422) is 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4cn(-c5ccc(O[C@H]6CCOC6)cc5)[nH]4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is FEYFJAAWPHTVIM-YDNXMHBPSA-N. The full InChI is InChI=1S/C26H26N4O6/c31-24-9-8-22(25(32)27-24)29-13-21-20(26(29)33)2-1-3-23(21)35-14-16-12-30(28-16)17-4-6-18(7-5-17)36-19-10-11-34-15-19/h1-7,12,19,22,28H,8-11,13-15H2,(H,27,31,32)/t19-,22?/m0/s1.
What are the key properties of 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 490.52 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-7-[[2-[4-[(3S)-oxolan-3-yl]oxyphenyl]-1H-diazet-4-yl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 146666422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).