3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione

C20H18N2O4 — CID 25015657

IUPAC3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccccc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H18N2O4/c23-18-10-9-16(19(24)21-18)22-11-15-14(20(22)25)7-4-8-17(15)26-12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,21,23,24)
InChIKeyMOGHNNIVWVOLSV-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.03
Rot. Bonds4

About 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione

3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 25015657) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID25015657
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(OCc4ccccc4)cccc3C2=O)C(=O)N1
InChIInChI=1S/C20H18N2O4/c23-18-10-9-16(19(24)21-18)22-11-15-14(20(22)25)7-4-8-17(15)26-12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,21,23,24)
InChIKeyMOGHNNIVWVOLSV-UHFFFAOYSA-N
XLogP2.03
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione (CID 25015657) is 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3c(OCc4ccccc4)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is MOGHNNIVWVOLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-10-9-16(19(24)21-18)22-11-15-14(20(22)25)7-4-8-17(15)26-12-13-5-2-1-3-6-13/h1-8,16H,9-12H2,(H,21,23,24).
What are the key properties of 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 350.37 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-7-phenylmethoxy-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 25015657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).