6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione

C16H30N2O2 — CID 64873815

IUPAC6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C16H30N2O2/c1-5-7-8-9-10-11-12-18-13(6-2)14(19)17-16(3,4)15(18)20/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyBCYAXEKNECWBQO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.86
Rot. Bonds8

About 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione

6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione (PubChem CID 64873815) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
PubChem CID64873815
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1C(=O)C(C)(C)NC(=O)C1CC
InChIInChI=1S/C16H30N2O2/c1-5-7-8-9-10-11-12-18-13(6-2)14(19)17-16(3,4)15(18)20/h13H,5-12H2,1-4H3,(H,17,19)
InChIKeyBCYAXEKNECWBQO-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-dimethyl-1-octylpiperazine-2,5-dione?
The IUPAC name of 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione (CID 64873815) is 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione is CCCCCCCCN1C(=O)C(C)(C)NC(=O)C1CC.
What is the InChIKey of 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione?
The InChIKey is BCYAXEKNECWBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-7-8-9-10-11-12-18-13(6-2)14(19)17-16(3,4)15(18)20/h13H,5-12H2,1-4H3,(H,17,19).
What are the key properties of 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione?
6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3,3-dimethyl-1-octylpiperazine-2,5-dione is sourced from PubChem (CID 64873815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).