3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione

C14H15N3O2 — CID 69473196

IUPAC3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCC1(n2cc3cccc(N)c3c2)CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O2/c1-14(6-5-12(18)16-13(14)19)17-7-9-3-2-4-11(15)10(9)8-17/h2-4,7-8H,5-6,15H2,1H3,(H,16,18,19)
InChIKeyHCWNYTJSJKOEAF-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.38
Rot. Bonds1

About 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione

3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione (PubChem CID 69473196) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione
PubChem CID69473196
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione
SMILESCC1(n2cc3cccc(N)c3c2)CCC(=O)NC1=O
InChIInChI=1S/C14H15N3O2/c1-14(6-5-12(18)16-13(14)19)17-7-9-3-2-4-11(15)10(9)8-17/h2-4,7-8H,5-6,15H2,1H3,(H,16,18,19)
InChIKeyHCWNYTJSJKOEAF-UHFFFAOYSA-N
XLogP1.38
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.38
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The IUPAC name of 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione (CID 69473196) is 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The canonical SMILES for 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione is CC1(n2cc3cccc(N)c3c2)CCC(=O)NC1=O.
What is the InChIKey of 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
The InChIKey is HCWNYTJSJKOEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-14(6-5-12(18)16-13(14)19)17-7-9-3-2-4-11(15)10(9)8-17/h2-4,7-8H,5-6,15H2,1H3,(H,16,18,19).
What are the key properties of 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione?
3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione has a molecular weight of 257.29 g/mol, XLogP of 1.38, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminoisoindol-2-yl)-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 69473196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).