4-propan-2-ylpiperidine-2,6-dione

C8H13NO2 — CID 3028438

IUPAC4-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1CC(=O)NC(=O)C1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-7(10)9-8(11)4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyRJWYDUDQAJWJEZ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.70
Rot. Bonds1

About 4-propan-2-ylpiperidine-2,6-dione

4-propan-2-ylpiperidine-2,6-dione (PubChem CID 3028438) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 4-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-propan-2-ylpiperidine-2,6-dione
PubChem CID3028438
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name4-propan-2-ylpiperidine-2,6-dione
SMILESCC(C)C1CC(=O)NC(=O)C1
InChIInChI=1S/C8H13NO2/c1-5(2)6-3-7(10)9-8(11)4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyRJWYDUDQAJWJEZ-UHFFFAOYSA-N
XLogP0.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-propan-2-ylpiperidine-2,6-dione (CID 3028438) is 4-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-propan-2-ylpiperidine-2,6-dione is CC(C)C1CC(=O)NC(=O)C1.
What is the InChIKey of 4-propan-2-ylpiperidine-2,6-dione?
The InChIKey is RJWYDUDQAJWJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5(2)6-3-7(10)9-8(11)4-6/h5-6H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 4-propan-2-ylpiperidine-2,6-dione?
4-propan-2-ylpiperidine-2,6-dione has a molecular weight of 155.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 3028438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).