3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione

C11H19NO3 — CID 106458139

IUPAC3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
SMILESCC(C)COCCC1CCC(=O)NC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-15-6-5-9-3-4-10(13)12-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZFEKOGDKKMMDGB-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.10
Rot. Bonds5

About 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione

3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione (PubChem CID 106458139) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
PubChem CID106458139
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
SMILESCC(C)COCCC1CCC(=O)NC1=O
InChIInChI=1S/C11H19NO3/c1-8(2)7-15-6-5-9-3-4-10(13)12-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13,14)
InChIKeyZFEKOGDKKMMDGB-UHFFFAOYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454
3-[2-(2-methylpropoxy)ethyl]pyrrolidin-2-one
CID 106460167
3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]piperidine-2,6-dione
CID 7034523
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
3-[1-(2-methylpropoxy)ethyl]pyrrolidine-2,5-dione
CID 67153157
3-(3-acetylhexyl)piperidine-2,6-dione
CID 91137997
3-[5-[2-[1-[4-fluoro-3-(2-methylpropoxy)phenyl]cyclopropyl]hydrazinyl]pentyl]piperidine-2,6-dione
CID 142360550
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-[2-(oxolan-2-yl)ethyl]piperidine-2,6-dione
CID 65165680
(3R)-3-[[4-(2-methylpropoxy)phenyl]methyl]pyrrolidine-2,5-dione
CID 98277402
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione (CID 106458139) is 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione is CC(C)COCCC1CCC(=O)NC1=O.
What is the InChIKey of 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione?
The InChIKey is ZFEKOGDKKMMDGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)7-15-6-5-9-3-4-10(13)12-11(9)14/h8-9H,3-7H2,1-2H3,(H,12,13,14).
What are the key properties of 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione?
3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione has a molecular weight of 213.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 106458139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).