3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione

C20H18N2O4 — CID 10981008

IUPAC3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-11-10-17(21-12-15-8-4-5-9-16(15)19(21)24)20(25)22(18)26-13-14-6-2-1-3-7-14/h1-9,17H,10-13H2
InChIKeySEKGQAVVHJCKFY-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.29
Rot. Bonds4

About 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione

3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione (PubChem CID 10981008) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione
PubChem CID10981008
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione
SMILESO=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-11-10-17(21-12-15-8-4-5-9-16(15)19(21)24)20(25)22(18)26-13-14-6-2-1-3-7-14/h1-9,17H,10-13H2
InChIKeySEKGQAVVHJCKFY-UHFFFAOYSA-N
XLogP2.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione
CID 118435253
5-(hydroxymethyl)-1-phenylmethoxypyrrolidin-2-one
CID 22592553
(3E,8aS)-3-benzylidene-2-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56647993
3-(7-benzylsulfanyl-3-oxo-1H-isoindol-2-yl)-1-methylpiperidine-2,6-dione
CID 164762943
3-[3-oxo-6-(2-phenylmethoxyethyl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855298
2-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)-3H-isoindol-1-one
CID 11849900
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
2-(4-methylidene-2-oxocyclohexyl)-4-phenylmethoxy-3H-isoindol-1-one
CID 147611609
1-methyl-3-[6-(2-methylpropyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170278341
N-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-phenylmethoxyacetamide
CID 71845218
2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
CID 102437877

Frequently Asked Questions

What is the IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione?
The IUPAC name of 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione (CID 10981008) is 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione.
What is the SMILES notation for 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione?
The canonical SMILES for 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione is O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1OCc1ccccc1.
What is the InChIKey of 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione?
The InChIKey is SEKGQAVVHJCKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-11-10-17(21-12-15-8-4-5-9-16(15)19(21)24)20(25)22(18)26-13-14-6-2-1-3-7-14/h1-9,17H,10-13H2.
What are the key properties of 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione?
3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione has a molecular weight of 350.37 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione is sourced from PubChem (CID 10981008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).