1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione

C9H15NO3 — CID 171489042

IUPAC1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
SMILESCC(C)(C)ON1CCC(=O)CC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-10-5-4-7(11)6-8(10)12/h4-6H2,1-3H3
InChIKeyKURULBWDLIIITM-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.91
Rot. Bonds1

About 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione

1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione (PubChem CID 171489042) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
PubChem CID171489042
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione
SMILESCC(C)(C)ON1CCC(=O)CC1=O
InChIInChI=1S/C9H15NO3/c1-9(2,3)13-10-5-4-7(11)6-8(10)12/h4-6H2,1-3H3
InChIKeyKURULBWDLIIITM-UHFFFAOYSA-N
XLogP0.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylpropan-2-yl)oxy]piperidine-2,4-dione?
The IUPAC name of 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione (CID 171489042) is 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione.
What is the SMILES notation for 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione?
The canonical SMILES for 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione is CC(C)(C)ON1CCC(=O)CC1=O.
What is the InChIKey of 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione?
The InChIKey is KURULBWDLIIITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)13-10-5-4-7(11)6-8(10)12/h4-6H2,1-3H3.
What are the key properties of 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione?
1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione has a molecular weight of 185.22 g/mol, XLogP of 0.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylpropan-2-yl)oxy]piperidine-2,4-dione is sourced from PubChem (CID 171489042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).