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

C14H26N2O3 — CID 64967355

IUPAC6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCCCOC)C1=O
InChIInChI=1S/C14H26N2O3/c1-4-8-11-14(18)16(9-6-7-10-19-3)12(5-2)13(17)15-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyDACMZPCHLBNKSZ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.32
Rot. Bonds8

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

6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione (PubChem CID 64967355) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione
PubChem CID64967355
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CC)N(CCCCOC)C1=O
InChIInChI=1S/C14H26N2O3/c1-4-8-11-14(18)16(9-6-7-10-19-3)12(5-2)13(17)15-11/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyDACMZPCHLBNKSZ-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.32
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione (CID 64967355) is 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(CC)N(CCCCOC)C1=O.
What is the InChIKey of 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione?
The InChIKey is DACMZPCHLBNKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-8-11-14(18)16(9-6-7-10-19-3)12(5-2)13(17)15-11/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione?
6-ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.32, 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)-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64967355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).