1-[4-(dimethylamino)butyl]piperidine-2,4-dione

C11H20N2O2 — CID 79516662

IUPAC1-[4-(dimethylamino)butyl]piperidine-2,4-dione
SMILESCN(C)CCCCN1CCC(=O)CC1=O
InChIInChI=1S/C11H20N2O2/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(13)15/h3-9H2,1-2H3
InChIKeyUMRSXUWERUUTID-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.52
Rot. Bonds5

About 1-[4-(dimethylamino)butyl]piperidine-2,4-dione

1-[4-(dimethylamino)butyl]piperidine-2,4-dione (PubChem CID 79516662) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-[4-(dimethylamino)butyl]piperidine-2,4-dione.

Molecular Properties

Compound Name1-[4-(dimethylamino)butyl]piperidine-2,4-dione
PubChem CID79516662
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-[4-(dimethylamino)butyl]piperidine-2,4-dione
SMILESCN(C)CCCCN1CCC(=O)CC1=O
InChIInChI=1S/C11H20N2O2/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(13)15/h3-9H2,1-2H3
InChIKeyUMRSXUWERUUTID-UHFFFAOYSA-N
XLogP0.52
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.52
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-(dimethylamino)butyl]piperidine-2,4-dione?
The IUPAC name of 1-[4-(dimethylamino)butyl]piperidine-2,4-dione (CID 79516662) is 1-[4-(dimethylamino)butyl]piperidine-2,4-dione.
What is the SMILES notation for 1-[4-(dimethylamino)butyl]piperidine-2,4-dione?
The canonical SMILES for 1-[4-(dimethylamino)butyl]piperidine-2,4-dione is CN(C)CCCCN1CCC(=O)CC1=O.
What is the InChIKey of 1-[4-(dimethylamino)butyl]piperidine-2,4-dione?
The InChIKey is UMRSXUWERUUTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-12(2)6-3-4-7-13-8-5-10(14)9-11(13)15/h3-9H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)butyl]piperidine-2,4-dione?
1-[4-(dimethylamino)butyl]piperidine-2,4-dione has a molecular weight of 212.29 g/mol, XLogP of 0.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)butyl]piperidine-2,4-dione is sourced from PubChem (CID 79516662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).