6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione

C15H28N2O3 — CID 106458966

IUPAC6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)9-20-8-7-17-13(18)12(11(3)4)16-14(19)15(17,5)6/h10-12H,7-9H2,1-6H3,(H,16,19)
InChIKeyLVWQEMDXLPYXAA-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.42
Rot. Bonds6

About 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione

6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione (PubChem CID 106458966) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
PubChem CID106458966
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
SMILESCC(C)COCCN1C(=O)C(C(C)C)NC(=O)C1(C)C
InChIInChI=1S/C15H28N2O3/c1-10(2)9-20-8-7-17-13(18)12(11(3)4)16-14(19)15(17,5)6/h10-12H,7-9H2,1-6H3,(H,16,19)
InChIKeyLVWQEMDXLPYXAA-UHFFFAOYSA-N
XLogP1.42
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.42
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 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The IUPAC name of 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione (CID 106458966) is 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione is CC(C)COCCN1C(=O)C(C(C)C)NC(=O)C1(C)C.
What is the InChIKey of 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
The InChIKey is LVWQEMDXLPYXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-10(2)9-20-8-7-17-13(18)12(11(3)4)16-14(19)15(17,5)6/h10-12H,7-9H2,1-6H3,(H,16,19).
What are the key properties of 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione?
6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 106458966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).