2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione

C15H19N3O5 — CID 176657173

IUPAC2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
SMILESO=C1c2cccc(NCCO)c2C(=O)N1C1CCC(O)NC1O
InChIInChI=1S/C15H19N3O5/c19-7-6-16-9-3-1-2-8-12(9)15(23)18(14(8)22)10-4-5-11(20)17-13(10)21/h1-3,10-11,13,16-17,19-21H,4-7H2
InChIKeyNOKKHAJIFDPJSW-UHFFFAOYSA-N
MW321.33 g/mol
LogP-0.92
Rot. Bonds4

About 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione

2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione (PubChem CID 176657173) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
PubChem CID176657173
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione
SMILESO=C1c2cccc(NCCO)c2C(=O)N1C1CCC(O)NC1O
InChIInChI=1S/C15H19N3O5/c19-7-6-16-9-3-1-2-8-12(9)15(23)18(14(8)22)10-4-5-11(20)17-13(10)21/h1-3,10-11,13,16-17,19-21H,4-7H2
InChIKeyNOKKHAJIFDPJSW-UHFFFAOYSA-N
XLogP-0.92
TPSA122.13 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 5-0.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(2,6-dihydroxypiperidin-3-yl)-4-nitroisoindole-1,3-dione
CID 151015971
tert-butyl N-[3-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]carbamate
CID 166982467
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
tert-butyl N-[2-[2-[2-[[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethyl]carbamate
CID 167041549
2-(2,4-dioxocyclohexyl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 162264033
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544
4-(7-aminoheptylamino)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;hydrochloride
CID 139211247
N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propyl]-N-methylformamide
CID 171072825
4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]butanal;methanol
CID 168902985
10-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]decylcarbamic acid
CID 155011882
4-[3-(diethylamino)propylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 168941433
16-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]hexadecanamide
CID 171853695

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione (CID 176657173) is 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione is O=C1c2cccc(NCCO)c2C(=O)N1C1CCC(O)NC1O.
What is the InChIKey of 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione?
The InChIKey is NOKKHAJIFDPJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O5/c19-7-6-16-9-3-1-2-8-12(9)15(23)18(14(8)22)10-4-5-11(20)17-13(10)21/h1-3,10-11,13,16-17,19-21H,4-7H2.
What are the key properties of 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione?
2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione has a molecular weight of 321.33 g/mol, XLogP of -0.92, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dihydroxypiperidin-3-yl)-4-(2-hydroxyethylamino)isoindole-1,3-dione is sourced from PubChem (CID 176657173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).