2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione

C20H18N2O4 — CID 102437877

IUPAC2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1[C@H](N2C(=O)c3ccccc3C2=O)CCCN1OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)17-11-6-12-21(20(17)25)26-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2/t17-/m1/s1
InChIKeyYGFHGUWTBXAUTE-QGZVFWFLSA-N
MW350.37 g/mol
LogP2.41
Rot. Bonds4

About 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione

2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione (PubChem CID 102437877) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
PubChem CID102437877
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1[C@H](N2C(=O)c3ccccc3C2=O)CCCN1OCc1ccccc1
InChIInChI=1S/C20H18N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)17-11-6-12-21(20(17)25)26-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2/t17-/m1/s1
InChIKeyYGFHGUWTBXAUTE-QGZVFWFLSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1S,2R)-2-phenylmethoxycyclopentyl]isoindole-1,3-dione
CID 68810098
3-(methylamino)-1-phenylmethoxypyrrolidin-2-one
CID 69151134
methyl (2R)-2-[(3S)-3-(1,3-dioxoisoindol-2-yl)-2-oxoazepan-1-yl]-3-phenylpropanoate
CID 22836880
tert-butyl N-[(3S)-2-oxo-1-phenylmethoxyazepan-3-yl]carbamate
CID 165341882
(3E,8aS)-3-benzylidene-2-phenylmethoxy-6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 56647993
2-[2,6-dioxo-1-(2-phenylethyl)piperidin-3-yl]isoindole-1,3-dione
CID 11417136
3-(2-methylpropanethioyl)-1-phenylmethoxypyrrolidin-2-one
CID 156716509
N-[(2,4-difluorophenyl)methyl]-(2-oxo-1-phenylmethoxypiperidin-3-yl)phosphonamidic acid
CID 166772299
2-[1-(methoxymethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 11289629
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
2-[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]isoindole-1,3-dione
CID 140931544
2-[1-(2-hydroxyethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione;(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 69248230

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione (CID 102437877) is 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione is O=C1[C@H](N2C(=O)c3ccccc3C2=O)CCCN1OCc1ccccc1.
What is the InChIKey of 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is YGFHGUWTBXAUTE-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H18N2O4/c23-18-15-9-4-5-10-16(15)19(24)22(18)17-11-6-12-21(20(17)25)26-13-14-7-2-1-3-8-14/h1-5,7-10,17H,6,11-13H2/t17-/m1/s1.
What are the key properties of 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione?
2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 350.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxo-1-phenylmethoxypiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 102437877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).