2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione

C20H18N2O5 — CID 118435253

IUPAC2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione
SMILESO=C1C=CC=C2C(=O)N(C3CCC(=O)N(OCc4ccccc4)C3=O)CC12
InChIInChI=1S/C20H18N2O5/c23-17-8-4-7-14-15(17)11-21(19(14)25)16-9-10-18(24)22(20(16)26)27-12-13-5-2-1-3-6-13/h1-8,15-16H,9-12H2
InChIKeyWMQLRMLLEDWUSW-UHFFFAOYSA-N
MW366.37 g/mol
LogP1.16
Rot. Bonds4

About 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione

2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione (PubChem CID 118435253) has the molecular formula C20H18N2O5 and a molecular weight of 366.37 g/mol. Its IUPAC name is 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione.

Molecular Properties

Compound Name2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione
PubChem CID118435253
Molecular FormulaC20H18N2O5
Molecular Weight366.37 g/mol
Exact Mass366.12
IUPAC Name2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione
SMILESO=C1C=CC=C2C(=O)N(C3CCC(=O)N(OCc4ccccc4)C3=O)CC12
InChIInChI=1S/C20H18N2O5/c23-17-8-4-7-14-15(17)11-21(19(14)25)16-9-10-18(24)22(20(16)26)27-12-13-5-2-1-3-6-13/h1-8,15-16H,9-12H2
InChIKeyWMQLRMLLEDWUSW-UHFFFAOYSA-N
XLogP1.16
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-oxo-1H-isoindol-2-yl)-1-phenylmethoxypiperidine-2,6-dione
CID 10981008
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
5-bromo-1-phenylmethoxypyrrolidin-2-one
CID 22495511
1-phenylmethoxy-5-(1,4,7-triazonan-1-ylmethyl)pyrrolidin-2-one
CID 67571689
5-methyl-3-phenylmethoxy-1,3-thiazolidine-2,4-dione
CID 14198894
(2,5-dioxopyrrolidin-1-yl) (2S,5R)-7-hydroxy-6-phenylmethoxy-1,6-diazabicyclo[3.2.1]octane-2-carboxylate
CID 134374765
4-(2-methylhexyl)-1-phenylmethoxyazetidin-2-one
CID 69338065
5-[(2S)-5-oxooxolan-2-yl]-1-phenylmethoxypyrrolidin-2-one
CID 58249802
2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
CID 102437877
(13aS)-6,7-dimethoxy-3-phenylmethoxy-9,12,13,13a-tetrahydrophenanthro[9,10-f]indolizine-11,14-dione
CID 51050303
3-amino-1-(3-phenylmethoxypropyl)azetidin-2-one
CID 130948949

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione?
The IUPAC name of 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione (CID 118435253) is 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione.
What is the SMILES notation for 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione?
The canonical SMILES for 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione is O=C1C=CC=C2C(=O)N(C3CCC(=O)N(OCc4ccccc4)C3=O)CC12.
What is the InChIKey of 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione?
The InChIKey is WMQLRMLLEDWUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O5/c23-17-8-4-7-14-15(17)11-21(19(14)25)16-9-10-18(24)22(20(16)26)27-12-13-5-2-1-3-6-13/h1-8,15-16H,9-12H2.
What are the key properties of 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione?
2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione has a molecular weight of 366.37 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxo-1-phenylmethoxypiperidin-3-yl)-3,3a-dihydroisoindole-1,4-dione is sourced from PubChem (CID 118435253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).