6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione

C14H26N2O3 — CID 64881224

IUPAC6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione
SMILESCCCCOCCN1C(=O)CNC(=O)C1C(C)CC
InChIInChI=1S/C14H26N2O3/c1-4-6-8-19-9-7-16-12(17)10-15-14(18)13(16)11(3)5-2/h11,13H,4-10H2,1-3H3,(H,15,18)
InChIKeyHFQCFUCVPWFPFA-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.18
Rot. Bonds8

About 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione

6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione (PubChem CID 64881224) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione
PubChem CID64881224
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione
SMILESCCCCOCCN1C(=O)CNC(=O)C1C(C)CC
InChIInChI=1S/C14H26N2O3/c1-4-6-8-19-9-7-16-12(17)10-15-14(18)13(16)11(3)5-2/h11,13H,4-10H2,1-3H3,(H,15,18)
InChIKeyHFQCFUCVPWFPFA-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
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-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione (CID 64881224) is 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione is CCCCOCCN1C(=O)CNC(=O)C1C(C)CC.
What is the InChIKey of 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione?
The InChIKey is HFQCFUCVPWFPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-8-19-9-7-16-12(17)10-15-14(18)13(16)11(3)5-2/h11,13H,4-10H2,1-3H3,(H,15,18).
What are the key properties of 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione?
6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(2-butoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64881224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).