3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

C15H19N3O4 — CID 170143097

IUPAC3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(NCCO)cccc3C2O)C(=O)N1
InChIInChI=1S/C15H19N3O4/c19-7-6-16-11-3-1-2-9-10(11)8-18(15(9)22)12-4-5-13(20)17-14(12)21/h1-3,12,15-16,19,22H,4-8H2,(H,17,20,21)
InChIKeyMPPHUBYNKBZXSN-UHFFFAOYSA-N
MW305.33 g/mol
LogP-0.30
Rot. Bonds4

About 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione

3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (PubChem CID 170143097) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
PubChem CID170143097
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(NCCO)cccc3C2O)C(=O)N1
InChIInChI=1S/C15H19N3O4/c19-7-6-16-11-3-1-2-9-10(11)8-18(15(9)22)12-4-5-13(20)17-14(12)21/h1-3,12,15-16,19,22H,4-8H2,(H,17,20,21)
InChIKeyMPPHUBYNKBZXSN-UHFFFAOYSA-N
XLogP-0.30
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 5-0.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-1,3-dihydroisoindol-4-yl]amino]ethyl]-1-oxidoazetidin-1-ium-3-yl]oxyacetate
CID 167470994
tert-butyl 2-[[2-(2,6-dioxopiperidin-3-yl)-1-methyl-1,3-dihydroisoindol-4-yl]amino]acetate
CID 146244196
3-[4-[(4-chlorophenyl)methoxy]-1-hydroxy-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 163697364
3-(4-hydroxy-1-sulfanyl-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 176674099
3-[4-[2-(methylamino)ethylamino]-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 175697338
3-(5-bromo-1-hydroxy-1,3-dihydroisoindol-2-yl)piperidine-2,6-dione
CID 152965133
tert-butyl N-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]ethyl]carbamate
CID 162432113
3-[7-(2-chloroethylamino)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 142407873
2-(2,6-dioxopiperidin-3-yl)-4-(6-hydroxyhexylamino)isoindole-1,3-dione
CID 138534322
3-[1-hydroxy-5-(4-oxopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione
CID 170564498
(3S)-3-[3-(aminomethyl)-6-hydroxy-4,6-dihydrothieno[3,4-c]pyrrol-5-yl]azepane-2,7-dione
CID 138740058
2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-(3-hydroxypropoxy)ethoxy]ethylamino]isoindole-1,3-dione
CID 166152544

Frequently Asked Questions

What is the IUPAC name of 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione (CID 170143097) is 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is O=C1CCC(N2Cc3c(NCCO)cccc3C2O)C(=O)N1.
What is the InChIKey of 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
The InChIKey is MPPHUBYNKBZXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-7-6-16-11-3-1-2-9-10(11)8-18(15(9)22)12-4-5-13(20)17-14(12)21/h1-3,12,15-16,19,22H,4-8H2,(H,17,20,21).
What are the key properties of 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione?
3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione has a molecular weight of 305.33 g/mol, XLogP of -0.30, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-hydroxy-4-(2-hydroxyethylamino)-1,3-dihydroisoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 170143097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).