1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione

C13H23NO2 — CID 79516659

IUPAC1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
SMILESCC(C)(C)CC(C)(C)N1CCC(=O)CC1=O
InChIInChI=1S/C13H23NO2/c1-12(2,3)9-13(4,5)14-7-6-10(15)8-11(14)16/h6-9H2,1-5H3
InChIKeyOGWAQEAITAESIA-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.39
Rot. Bonds2

About 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione

1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione (PubChem CID 79516659) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
PubChem CID79516659
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione
SMILESCC(C)(C)CC(C)(C)N1CCC(=O)CC1=O
InChIInChI=1S/C13H23NO2/c1-12(2,3)9-13(4,5)14-7-6-10(15)8-11(14)16/h6-9H2,1-5H3
InChIKeyOGWAQEAITAESIA-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione?
The IUPAC name of 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione (CID 79516659) is 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione.
What is the SMILES notation for 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione?
The canonical SMILES for 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione is CC(C)(C)CC(C)(C)N1CCC(=O)CC1=O.
What is the InChIKey of 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione?
The InChIKey is OGWAQEAITAESIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-12(2,3)9-13(4,5)14-7-6-10(15)8-11(14)16/h6-9H2,1-5H3.
What are the key properties of 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione?
1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione has a molecular weight of 225.33 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,4-trimethylpentan-2-yl)piperidine-2,4-dione is sourced from PubChem (CID 79516659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).