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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-butylpiperidine-2,4-dione
CID 79515410
1-(4-methoxybutyl)piperidine-2,4-dione
CID 79517353
1-[4-(dimethylamino)butyl]piperazin-2-one
CID 64565809
1-[10-(dimethylamino)decyl]pyrrolidine-2,5-dione
CID 70504867
1-[4-(dimethylamino)butyl]-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64968681
N,N-dibutylbutan-1-amine;1-[3-(dimethylamino)propyl]pyrrolidin-2-one
CID 67848441
1-[2-(4-methylcyclohexyl)ethyl]piperidine-2,4-dione
CID 79517754
1-[3-(dimethylamino)propyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64960108
1-(3-methyl-2-propan-2-ylbutyl)piperidine-2,4-dione
CID 102906301
2-[3-(dimethylamino)propyl]-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944185
1-(2,2,2-trifluoroethyl)piperidine-2,4-dione
CID 79516449
(3R)-1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carboxylic acid
CID 735293

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).