1,3,3-trimethylpiperidine-2,6-dione

C8H13NO2 — CID 13462179

IUPAC1,3,3-trimethylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(C)(C)C1=O
InChIInChI=1S/C8H13NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h4-5H2,1-3H3
InChIKeyPJGHVAFFVDUMJI-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.79
Rot. Bonds

About 1,3,3-trimethylpiperidine-2,6-dione

1,3,3-trimethylpiperidine-2,6-dione (PubChem CID 13462179) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,3,3-trimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name1,3,3-trimethylpiperidine-2,6-dione
PubChem CID13462179
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,3,3-trimethylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(C)(C)C1=O
InChIInChI=1S/C8H13NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h4-5H2,1-3H3
InChIKeyPJGHVAFFVDUMJI-UHFFFAOYSA-N
XLogP0.79
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.79
H-Bond Donors ≤ 50
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 1,3,3-trimethylpiperidine-2,6-dione?
The IUPAC name of 1,3,3-trimethylpiperidine-2,6-dione (CID 13462179) is 1,3,3-trimethylpiperidine-2,6-dione.
What is the SMILES notation for 1,3,3-trimethylpiperidine-2,6-dione?
The canonical SMILES for 1,3,3-trimethylpiperidine-2,6-dione is CN1C(=O)CCC(C)(C)C1=O.
What is the InChIKey of 1,3,3-trimethylpiperidine-2,6-dione?
The InChIKey is PJGHVAFFVDUMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-8(2)5-4-6(10)9(3)7(8)11/h4-5H2,1-3H3.
What are the key properties of 1,3,3-trimethylpiperidine-2,6-dione?
1,3,3-trimethylpiperidine-2,6-dione has a molecular weight of 155.20 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethylpiperidine-2,6-dione is sourced from PubChem (CID 13462179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).