6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione

C16H30N2O3 — CID 64901611

IUPAC6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1CCOCCC(C)C
InChIInChI=1S/C16H30N2O3/c1-7-16(6)13(19)17-15(4,5)14(20)18(16)9-11-21-10-8-12(2)3/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyILLOWRXLQCIOTA-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds7

About 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione

6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione (PubChem CID 64901611) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
PubChem CID64901611
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(C)(C)C(=O)N1CCOCCC(C)C
InChIInChI=1S/C16H30N2O3/c1-7-16(6)13(19)17-15(4,5)14(20)18(16)9-11-21-10-8-12(2)3/h12H,7-11H2,1-6H3,(H,17,19)
InChIKeyILLOWRXLQCIOTA-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
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-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione (CID 64901611) is 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione is CCC1(C)C(=O)NC(C)(C)C(=O)N1CCOCCC(C)C.
What is the InChIKey of 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
The InChIKey is ILLOWRXLQCIOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-16(6)13(19)17-15(4,5)14(20)18(16)9-11-21-10-8-12(2)3/h12H,7-11H2,1-6H3,(H,17,19).
What are the key properties of 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione?
6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3,6-trimethyl-1-[2-(3-methylbutoxy)ethyl]piperazine-2,5-dione is sourced from PubChem (CID 64901611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).