5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione

C13H13N3O3 — CID 46208616

IUPAC5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
SMILES[2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2
InChIInChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i1D,2D,3D,4D2,5D2
InChIKeyGOTYRUGSSMKFNF-OKHVXZACSA-N
MW266.31 g/mol
LogP0.03
Rot. Bonds1

About 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione

5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione (PubChem CID 46208616) has the molecular formula C13H13N3O3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione.

Molecular Properties

Compound Name5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
PubChem CID46208616
Molecular FormulaC13H13N3O3
Molecular Weight266.31 g/mol
Exact Mass266.14
IUPAC Name5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
SMILES[2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2
InChIInChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i1D,2D,3D,4D2,5D2
InChIKeyGOTYRUGSSMKFNF-OKHVXZACSA-N
XLogP0.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

(5S)-5-(7-amino-4,6-dideuterio-5-fluoro-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione
CID 140817295
(3R)-3-(7-amino-1,1,4,5,6-pentadeuterio-3-oxoisoindol-2-yl)piperidine-2,6-dione
CID 140915044
3-(7-amino-4,5-dideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 46865765
(5R)-3,3,4,4-tetradeuterio-5-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915115
(5S)-3,3,4,4-tetradeuterio-5-[4,5,6-trideuterio-3-oxo-7-[[2,3,5,6-tetradeuterio-4-(morpholin-4-ylmethyl)phenyl]methylamino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915228
5-(7-amino-3-oxo-1H-isoindol-2-yl)-3,3,4-trideuteriopiperidine-2,6-dione
CID 88575828
3-(7-amino-5-deuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575829
4-amino-5,6,7-trideuterio-2-[(3S)-3,4,4,5,5-pentadeuterio-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
CID 140915199
(3S)-3-(7-amino-4,6-dideuterio-5-fluoro-3-oxo-1H-isoindol-2-yl)-3,4,4,5,5-pentadeuteriopiperidine-2,6-dione
CID 140817631
3-(7-amino-1,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 88575837
3,3,4,4-tetradeuterio-5-[1,1,4,5,6-pentadeuterio-7-[dideuterio-[2,3,5,6-tetradeuterio-4-[dideuterio-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915130
(3S)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 12044976

Frequently Asked Questions

What is the IUPAC name of 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione?
The IUPAC name of 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione (CID 46208616) is 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione.
What is the SMILES notation for 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione?
The canonical SMILES for 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione is [2H]c1c([2H])c(N)c2c(c1[2H])C(=O)N(C1C(=O)NC(=O)C([2H])([2H])C1([2H])[2H])C2.
What is the InChIKey of 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione?
The InChIKey is GOTYRUGSSMKFNF-OKHVXZACSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)/i1D,2D,3D,4D2,5D2.
What are the key properties of 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione?
5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione has a molecular weight of 266.31 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-amino-4,5,6-trideuterio-3-oxo-1H-isoindol-2-yl)-3,3,4,4-tetradeuteriopiperidine-2,6-dione is sourced from PubChem (CID 46208616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).