6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione

C12H22N2O3 — CID 64875375

IUPAC6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCOC
InChIInChI=1S/C12H22N2O3/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyVMWQUTOSSLZSPD-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.54
Rot. Bonds5

About 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione

6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64875375) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
PubChem CID64875375
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione
SMILESCCC1C(=O)NC(C)(C)C(=O)N1CCCOC
InChIInChI=1S/C12H22N2O3/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-17-4/h9H,5-8H2,1-4H3,(H,13,15)
InChIKeyVMWQUTOSSLZSPD-UHFFFAOYSA-N
XLogP0.54
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-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-(3-ethoxypropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64959171
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
CID 64873815
6-ethyl-1-(3-ethylsulfonylpropyl)-3,3-dimethylpiperazine-2,5-dione
CID 65096750
6-ethyl-3,3-dimethyl-1-(3-methylsulfonylpropyl)piperazine-2,5-dione
CID 64873811
6-tert-butyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650381
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380
1-(2,2-dimethylpropyl)-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964021
6-ethyl-3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]piperazine-2,5-dione
CID 65170495
6-cyclopropyl-1-[3-(2-methoxyethoxy)propyl]-3,3-dimethylpiperazine-2,5-dione
CID 103414640
6-ethyl-1-(1-methoxybutan-2-yl)-3,3-dimethylpiperazine-2,5-dione
CID 64972906
1-[2-(4-chlorophenyl)ethyl]-6-ethyl-3,3-dimethylpiperazine-2,5-dione
CID 64964510
6-cyclopropyl-1-[2-(3-methoxypropoxy)ethyl]-3,3-dimethylpiperazine-2,5-dione
CID 103184650

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione (CID 64875375) is 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione is CCC1C(=O)NC(C)(C)C(=O)N1CCCOC.
What is the InChIKey of 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is VMWQUTOSSLZSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-5-9-10(15)13-12(2,3)11(16)14(9)7-6-8-17-4/h9H,5-8H2,1-4H3,(H,13,15).
What are the key properties of 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione?
6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 242.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(3-methoxypropyl)-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64875375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).