4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione

C12H19NO2 — CID 79318356

IUPAC4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1C1CC1
InChIInChI=1S/C12H19NO2/c1-7(2)5-10-9(8-3-4-8)6-11(14)13-12(10)15/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKJRGTRUUYPOQFI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.72
Rot. Bonds3

About 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione

4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79318356) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79318356
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1C(=O)NC(=O)CC1C1CC1
InChIInChI=1S/C12H19NO2/c1-7(2)5-10-9(8-3-4-8)6-11(14)13-12(10)15/h7-10H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyKJRGTRUUYPOQFI-UHFFFAOYSA-N
XLogP1.72
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
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-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione (CID 79318356) is 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1C(=O)NC(=O)CC1C1CC1.
What is the InChIKey of 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is KJRGTRUUYPOQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-7(2)5-10-9(8-3-4-8)6-11(14)13-12(10)15/h7-10H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione?
4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 209.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79318356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).