4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione

C11H19NO3 — CID 79320664

IUPAC4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCOCC1(C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)9-10(14)12-8(13)5-11(9,3)6-15-4/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyVEPLITCXXJSXCC-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds3

About 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione

4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione (PubChem CID 79320664) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione
PubChem CID79320664
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione
SMILESCOCC1(C)CC(=O)NC(=O)C1C(C)C
InChIInChI=1S/C11H19NO3/c1-7(2)9-10(14)12-8(13)5-11(9,3)6-15-4/h7,9H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyVEPLITCXXJSXCC-UHFFFAOYSA-N
XLogP0.96
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The IUPAC name of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione (CID 79320664) is 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione is COCC1(C)CC(=O)NC(=O)C1C(C)C.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
The InChIKey is VEPLITCXXJSXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-7(2)9-10(14)12-8(13)5-11(9,3)6-15-4/h7,9H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione?
4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione has a molecular weight of 213.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 79320664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).