1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione

C13H23NO3 — CID 106288772

IUPAC1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
SMILESCCC(CC)C(O)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C13H23NO3/c1-4-10(5-2)11(15)8-14-12(16)6-9(3)7-13(14)17/h9-11,15H,4-8H2,1-3H3
InChIKeyKHEBNHCZBGXIMJ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione

1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione (PubChem CID 106288772) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
PubChem CID106288772
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione
SMILESCCC(CC)C(O)CN1C(=O)CC(C)CC1=O
InChIInChI=1S/C13H23NO3/c1-4-10(5-2)11(15)8-14-12(16)6-9(3)7-13(14)17/h9-11,15H,4-8H2,1-3H3
InChIKeyKHEBNHCZBGXIMJ-UHFFFAOYSA-N
XLogP1.57
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.57
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

1-(2-hydroxypentyl)-4-methylpiperidine-2,6-dione
CID 79506655
1-[2-(bromomethyl)butyl]-4-methylpiperidine-2,6-dione
CID 79507124
1-(3-ethyl-2-hydroxypentyl)-3-phenylpyrrolidine-2,5-dione
CID 106288752
1-[2-hydroxy-3-(methylamino)propyl]-4-methylpiperidine-2,6-dione
CID 79507028
2-methyl-3-(4-methyl-2,6-dioxopiperidin-1-yl)propanoic acid
CID 62933969
1-(4-hydroxyhexyl)-4-methylpiperidine-2,6-dione
CID 106802582
3-ethyl-1-(3-methylazetidin-1-yl)pentan-2-ol
CID 106288664
1-(2-hydroxybutyl)-4-methylpyrrolidin-2-one
CID 63100793
4-methyl-1-[2-(propylamino)pentyl]piperidine-2,6-dione
CID 79506645
1-(3-ethyl-2-hydroxypentyl)piperidin-2-one
CID 106288701
1-[2-(ethylamino)-2-phenylethyl]-4-methylpiperidine-2,6-dione
CID 79507326
1-[2-(2-hydroxypropylamino)ethyl]-4-methylpiperidine-2,6-dione
CID 104594518

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione?
The IUPAC name of 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione (CID 106288772) is 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione.
What is the SMILES notation for 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione?
The canonical SMILES for 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione is CCC(CC)C(O)CN1C(=O)CC(C)CC1=O.
What is the InChIKey of 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione?
The InChIKey is KHEBNHCZBGXIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-10(5-2)11(15)8-14-12(16)6-9(3)7-13(14)17/h9-11,15H,4-8H2,1-3H3.
What are the key properties of 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione?
1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione has a molecular weight of 241.33 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-2-hydroxypentyl)-4-methylpiperidine-2,6-dione is sourced from PubChem (CID 106288772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).