6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione

C15H28N2O3 — CID 64872765

IUPAC6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CCOCCC(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-6-13-15(19)17(12(4)14(18)16-13)8-10-20-9-7-11(2)3/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyBIGSFQICUVYPCE-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.56
Rot. Bonds8

About 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione

6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione (PubChem CID 64872765) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
PubChem CID64872765
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)N(CCOCCC(C)C)C1=O
InChIInChI=1S/C15H28N2O3/c1-5-6-13-15(19)17(12(4)14(18)16-13)8-10-20-9-7-11(2)3/h11-13H,5-10H2,1-4H3,(H,16,18)
InChIKeyBIGSFQICUVYPCE-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
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

3-ethyl-1-[2-(3-methylbutoxy)ethyl]-6-propylpiperazine-2,5-dione
CID 64903178
6-methyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-propylpiperazine-2,5-dione
CID 114469768
6-methyl-1-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64872371
1-(2-fluoroethyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 80698044
1-(4-methylpentyl)-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 83148273
1-(2-butoxyethyl)-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64873847
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-(2-but-3-enoxyethyl)-6-propan-2-yl-3-propylpiperazine-2,5-dione
CID 106409860
6-methyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627626
6-tert-butyl-1-(3-methylbutyl)-3-propylpiperazine-2,5-dione
CID 64873376
1-butyl-6-(2-methylpropyl)-3-propylpiperazine-2,5-dione
CID 64873181
3-ethyl-1-(2-propoxyethyl)-6-propylpiperazine-2,5-dione
CID 106458998

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione?
The IUPAC name of 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione (CID 64872765) is 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione?
The canonical SMILES for 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)N(CCOCCC(C)C)C1=O.
What is the InChIKey of 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione?
The InChIKey is BIGSFQICUVYPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-6-13-15(19)17(12(4)14(18)16-13)8-10-20-9-7-11(2)3/h11-13H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione?
6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-[2-(3-methylbutoxy)ethyl]-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 64872765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).