4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione

C16H30N2O3 — CID 18533681

IUPAC4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione
SMILESCCCCCCCCN1C(=O)C(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-7-8-9-10-11-12-17-13(19)15(2,3)18(21)16(4,5)14(17)20/h21H,6-12H2,1-5H3
InChIKeyPWRHGNCCKYYXFE-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.96
Rot. Bonds7

About 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione

4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione (PubChem CID 18533681) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione
PubChem CID18533681
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione
SMILESCCCCCCCCN1C(=O)C(C)(C)N(O)C(C)(C)C1=O
InChIInChI=1S/C16H30N2O3/c1-6-7-8-9-10-11-12-17-13(19)15(2,3)18(21)16(4,5)14(17)20/h21H,6-12H2,1-5H3
InChIKeyPWRHGNCCKYYXFE-UHFFFAOYSA-N
XLogP2.96
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione?
The IUPAC name of 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione (CID 18533681) is 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione.
What is the SMILES notation for 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione?
The canonical SMILES for 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione is CCCCCCCCN1C(=O)C(C)(C)N(O)C(C)(C)C1=O.
What is the InChIKey of 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione?
The InChIKey is PWRHGNCCKYYXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-6-7-8-9-10-11-12-17-13(19)15(2,3)18(21)16(4,5)14(17)20/h21H,6-12H2,1-5H3.
What are the key properties of 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione?
4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione has a molecular weight of 298.43 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,3,5,5-tetramethyl-1-octylpiperazine-2,6-dione is sourced from PubChem (CID 18533681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).