4-butyl-1-ethyl-4-methylpiperidine-2,6-dione

C12H21NO2 — CID 24838456

IUPAC4-butyl-1-ethyl-4-methylpiperidine-2,6-dione
SMILESCCCCC1(C)CC(=O)N(CC)C(=O)C1
InChIInChI=1S/C12H21NO2/c1-4-6-7-12(3)8-10(14)13(5-2)11(15)9-12/h4-9H2,1-3H3
InChIKeyJIIPGPVSDZBEEF-UHFFFAOYSA-N
MW211.30 g/mol
LogP2.35
Rot. Bonds4

About 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione

4-butyl-1-ethyl-4-methylpiperidine-2,6-dione (PubChem CID 24838456) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-butyl-1-ethyl-4-methylpiperidine-2,6-dione
PubChem CID24838456
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name4-butyl-1-ethyl-4-methylpiperidine-2,6-dione
SMILESCCCCC1(C)CC(=O)N(CC)C(=O)C1
InChIInChI=1S/C12H21NO2/c1-4-6-7-12(3)8-10(14)13(5-2)11(15)9-12/h4-9H2,1-3H3
InChIKeyJIIPGPVSDZBEEF-UHFFFAOYSA-N
XLogP2.35
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione?
The IUPAC name of 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione (CID 24838456) is 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione?
The canonical SMILES for 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione is CCCCC1(C)CC(=O)N(CC)C(=O)C1.
What is the InChIKey of 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione?
The InChIKey is JIIPGPVSDZBEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-4-6-7-12(3)8-10(14)13(5-2)11(15)9-12/h4-9H2,1-3H3.
What are the key properties of 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione?
4-butyl-1-ethyl-4-methylpiperidine-2,6-dione has a molecular weight of 211.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-ethyl-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 24838456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).