4-butyl-1,4-dimethylpiperidine-2,6-dione

C11H19NO2 — CID 24838455

IUPAC4-butyl-1,4-dimethylpiperidine-2,6-dione
SMILESCCCCC1(C)CC(=O)N(C)C(=O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-6-11(2)7-9(13)12(3)10(14)8-11/h4-8H2,1-3H3
InChIKeyAUPHOIXJROTBFG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.96
Rot. Bonds3

About 4-butyl-1,4-dimethylpiperidine-2,6-dione

4-butyl-1,4-dimethylpiperidine-2,6-dione (PubChem CID 24838455) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 4-butyl-1,4-dimethylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-butyl-1,4-dimethylpiperidine-2,6-dione
PubChem CID24838455
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name4-butyl-1,4-dimethylpiperidine-2,6-dione
SMILESCCCCC1(C)CC(=O)N(C)C(=O)C1
InChIInChI=1S/C11H19NO2/c1-4-5-6-11(2)7-9(13)12(3)10(14)8-11/h4-8H2,1-3H3
InChIKeyAUPHOIXJROTBFG-UHFFFAOYSA-N
XLogP1.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.96
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 4-butyl-1,4-dimethylpiperidine-2,6-dione?
The IUPAC name of 4-butyl-1,4-dimethylpiperidine-2,6-dione (CID 24838455) is 4-butyl-1,4-dimethylpiperidine-2,6-dione.
What is the SMILES notation for 4-butyl-1,4-dimethylpiperidine-2,6-dione?
The canonical SMILES for 4-butyl-1,4-dimethylpiperidine-2,6-dione is CCCCC1(C)CC(=O)N(C)C(=O)C1.
What is the InChIKey of 4-butyl-1,4-dimethylpiperidine-2,6-dione?
The InChIKey is AUPHOIXJROTBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-4-5-6-11(2)7-9(13)12(3)10(14)8-11/h4-8H2,1-3H3.
What are the key properties of 4-butyl-1,4-dimethylpiperidine-2,6-dione?
4-butyl-1,4-dimethylpiperidine-2,6-dione has a molecular weight of 197.28 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,4-dimethylpiperidine-2,6-dione is sourced from PubChem (CID 24838455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).