1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione

C12H21NO2 — CID 59551140

IUPAC1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione
SMILESCCC1(C)CCC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H21NO2/c1-6-12(5)8-7-9(14)13(10(12)15)11(2,3)4/h6-8H2,1-5H3
InChIKeyKZMTXBUTXDWZGJ-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.35
Rot. Bonds1

About 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione

1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione (PubChem CID 59551140) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione
PubChem CID59551140
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione
SMILESCCC1(C)CCC(=O)N(C(C)(C)C)C1=O
InChIInChI=1S/C12H21NO2/c1-6-12(5)8-7-9(14)13(10(12)15)11(2,3)4/h6-8H2,1-5H3
InChIKeyKZMTXBUTXDWZGJ-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 52.35
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-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione?
The IUPAC name of 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione (CID 59551140) is 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione?
The canonical SMILES for 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione is CCC1(C)CCC(=O)N(C(C)(C)C)C1=O.
What is the InChIKey of 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione?
The InChIKey is KZMTXBUTXDWZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-6-12(5)8-7-9(14)13(10(12)15)11(2,3)4/h6-8H2,1-5H3.
What are the key properties of 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione?
1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione has a molecular weight of 211.30 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-ethyl-3-methylpiperidine-2,6-dione is sourced from PubChem (CID 59551140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).