6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione

C15H28N2O3 — CID 104650364

IUPAC6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCCOC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-9-12-13(18)17(10-7-8-11-20-4)15(3,6-2)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyAOIMZHXMFMNAMJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds8

About 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione

6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione (PubChem CID 104650364) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
PubChem CID104650364
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(CC)N(CCCCOC)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-9-12-13(18)17(10-7-8-11-20-4)15(3,6-2)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19)
InChIKeyAOIMZHXMFMNAMJ-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
CID 83169739
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
1-(3-ethoxypropyl)-6,6-diethyl-3-propylpiperazine-2,5-dione
CID 65178089
1-[(E)-3-chloroprop-2-enyl]-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 107902046
6-ethyl-6-methyl-1-[(2-methyltetrazol-5-yl)methyl]-3-propylpiperazine-2,5-dione
CID 107056418
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
1-(3-methoxypropyl)-3-propylpiperazine-2,5-dione
CID 64879793
1-cycloheptyl-6-ethyl-6-methyl-3-propylpiperazine-2,5-dione
CID 82924165
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione (CID 104650364) is 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(CC)N(CCCCOC)C1=O.
What is the InChIKey of 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione?
The InChIKey is AOIMZHXMFMNAMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-9-12-13(18)17(10-7-8-11-20-4)15(3,6-2)14(19)16-12/h12H,5-11H2,1-4H3,(H,16,19).
What are the key properties of 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione?
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 104650364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).