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

C12H21NO3 — CID 79317410

IUPAC4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCOCC1(C)CC(=O)NC(=O)C1CC(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9,3)7-16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyNVLIAOSOOJMEPM-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.35
Rot. Bonds4

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

4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione (PubChem CID 79317410) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione.

Molecular Properties

Compound Name4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
PubChem CID79317410
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione
SMILESCOCC1(C)CC(=O)NC(=O)C1CC(C)C
InChIInChI=1S/C12H21NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9,3)7-16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15)
InChIKeyNVLIAOSOOJMEPM-UHFFFAOYSA-N
XLogP1.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.35
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-(2-methylpropyl)piperidine-2,6-dione?
The IUPAC name of 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione (CID 79317410) is 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione.
What is the SMILES notation for 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
The canonical SMILES for 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione is COCC1(C)CC(=O)NC(=O)C1CC(C)C.
What is the InChIKey of 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
The InChIKey is NVLIAOSOOJMEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-8(2)5-9-11(15)13-10(14)6-12(9,3)7-16-4/h8-9H,5-7H2,1-4H3,(H,13,14,15).
What are the key properties of 4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione?
4-(methoxymethyl)-4-methyl-3-(2-methylpropyl)piperidine-2,6-dione has a molecular weight of 227.30 g/mol, XLogP of 1.35, 4 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-(2-methylpropyl)piperidine-2,6-dione is sourced from PubChem (CID 79317410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).