1-(4-methoxybutyl)piperidine-2,4-dione

C10H17NO3 — CID 79517353

IUPAC1-(4-methoxybutyl)piperidine-2,4-dione
SMILESCOCCCCN1CCC(=O)CC1=O
InChIInChI=1S/C10H17NO3/c1-14-7-3-2-5-11-6-4-9(12)8-10(11)13/h2-8H2,1H3
InChIKeyJSIZKSFRIZOOHF-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.60
Rot. Bonds5

About 1-(4-methoxybutyl)piperidine-2,4-dione

1-(4-methoxybutyl)piperidine-2,4-dione (PubChem CID 79517353) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(4-methoxybutyl)piperidine-2,4-dione.

Molecular Properties

Compound Name1-(4-methoxybutyl)piperidine-2,4-dione
PubChem CID79517353
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name1-(4-methoxybutyl)piperidine-2,4-dione
SMILESCOCCCCN1CCC(=O)CC1=O
InChIInChI=1S/C10H17NO3/c1-14-7-3-2-5-11-6-4-9(12)8-10(11)13/h2-8H2,1H3
InChIKeyJSIZKSFRIZOOHF-UHFFFAOYSA-N
XLogP0.60
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxybutyl)piperidine-2,4-dione?
The IUPAC name of 1-(4-methoxybutyl)piperidine-2,4-dione (CID 79517353) is 1-(4-methoxybutyl)piperidine-2,4-dione.
What is the SMILES notation for 1-(4-methoxybutyl)piperidine-2,4-dione?
The canonical SMILES for 1-(4-methoxybutyl)piperidine-2,4-dione is COCCCCN1CCC(=O)CC1=O.
What is the InChIKey of 1-(4-methoxybutyl)piperidine-2,4-dione?
The InChIKey is JSIZKSFRIZOOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-14-7-3-2-5-11-6-4-9(12)8-10(11)13/h2-8H2,1H3.
What are the key properties of 1-(4-methoxybutyl)piperidine-2,4-dione?
1-(4-methoxybutyl)piperidine-2,4-dione has a molecular weight of 199.25 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybutyl)piperidine-2,4-dione is sourced from PubChem (CID 79517353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).