3-(3-acetylhexyl)piperidine-2,6-dione

C13H21NO3 — CID 91137997

IUPAC3-(3-acetylhexyl)piperidine-2,6-dione
SMILESCCCC(CCC1CCC(=O)NC1=O)C(C)=O
InChIInChI=1S/C13H21NO3/c1-3-4-10(9(2)15)5-6-11-7-8-12(16)14-13(11)17/h10-11H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyLGXXEVXLJRBCFM-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.82
Rot. Bonds6

About 3-(3-acetylhexyl)piperidine-2,6-dione

3-(3-acetylhexyl)piperidine-2,6-dione (PubChem CID 91137997) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 3-(3-acetylhexyl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3-acetylhexyl)piperidine-2,6-dione
PubChem CID91137997
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name3-(3-acetylhexyl)piperidine-2,6-dione
SMILESCCCC(CCC1CCC(=O)NC1=O)C(C)=O
InChIInChI=1S/C13H21NO3/c1-3-4-10(9(2)15)5-6-11-7-8-12(16)14-13(11)17/h10-11H,3-8H2,1-2H3,(H,14,16,17)
InChIKeyLGXXEVXLJRBCFM-UHFFFAOYSA-N
XLogP1.82
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(2,6-dioxopiperidin-3-yl)ethyl]piperidine-2,6-dione
CID 54373582
3-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]piperidine-2,6-dione
CID 104567454
methyl 2-(2,6-dioxopiperidin-3-yl)acetate
CID 138460854
3-[2-(2-methylpropoxy)ethyl]piperidine-2,6-dione
CID 106458139
(3S)-3-[(E,2R)-2-hydroxy-5-methyl-4-oxooct-5-enyl]piperidine-2,6-dione
CID 162882457
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
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
azane;carbon dioxide;2-hydroxypentanenitrile;methane;3-propylpyrrolidine-2,5-dione
CID 159261355
3-[[(2E,4E)-5,6-dimethylnona-2,4-dien-2-yl]amino]piperidine-2,6-dione;ethane
CID 177198123
3-hexylpyrrolidine-2,5-dione;hydrochloride
CID 70281671
(3S)-3-[(4-methoxyphenyl)methyl]piperidine-2,6-dione
CID 92849982

Frequently Asked Questions

What is the IUPAC name of 3-(3-acetylhexyl)piperidine-2,6-dione?
The IUPAC name of 3-(3-acetylhexyl)piperidine-2,6-dione (CID 91137997) is 3-(3-acetylhexyl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3-acetylhexyl)piperidine-2,6-dione?
The canonical SMILES for 3-(3-acetylhexyl)piperidine-2,6-dione is CCCC(CCC1CCC(=O)NC1=O)C(C)=O.
What is the InChIKey of 3-(3-acetylhexyl)piperidine-2,6-dione?
The InChIKey is LGXXEVXLJRBCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-3-4-10(9(2)15)5-6-11-7-8-12(16)14-13(11)17/h10-11H,3-8H2,1-2H3,(H,14,16,17).
What are the key properties of 3-(3-acetylhexyl)piperidine-2,6-dione?
3-(3-acetylhexyl)piperidine-2,6-dione has a molecular weight of 239.31 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-acetylhexyl)piperidine-2,6-dione is sourced from PubChem (CID 91137997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).