3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione

C14H25NO2 — CID 114867239

IUPAC3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C
InChIInChI=1S/C14H25NO2/c1-9(2)6-14(7-10(3)4)8-12(16)15-13(17)11(14)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNYFQWUQWJQGTQB-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.75
Rot. Bonds4

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

3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione (PubChem CID 114867239) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
PubChem CID114867239
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
SMILESCC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C
InChIInChI=1S/C14H25NO2/c1-9(2)6-14(7-10(3)4)8-12(16)15-13(17)11(14)5/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyNYFQWUQWJQGTQB-UHFFFAOYSA-N
XLogP2.75
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.75
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 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione (CID 114867239) is 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione is CC(C)CC1(CC(C)C)CC(=O)NC(=O)C1C.
What is the InChIKey of 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is NYFQWUQWJQGTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-9(2)6-14(7-10(3)4)8-12(16)15-13(17)11(14)5/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione?
3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 239.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 114867239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).