3-(2-methylpropyl)-1-octylpiperazine-2,5-dione

C16H30N2O2 — CID 64879391

IUPAC3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-4-5-6-7-8-9-10-18-12-15(19)17-14(16(18)20)11-13(2)3/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyKZNZBJHZWIFDAX-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds9

About 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione

3-(2-methylpropyl)-1-octylpiperazine-2,5-dione (PubChem CID 64879391) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
PubChem CID64879391
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-(2-methylpropyl)-1-octylpiperazine-2,5-dione
SMILESCCCCCCCCN1CC(=O)NC(CC(C)C)C1=O
InChIInChI=1S/C16H30N2O2/c1-4-5-6-7-8-9-10-18-12-15(19)17-14(16(18)20)11-13(2)3/h13-14H,4-12H2,1-3H3,(H,17,19)
InChIKeyKZNZBJHZWIFDAX-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
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 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione?
The IUPAC name of 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione (CID 64879391) is 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione.
What is the SMILES notation for 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione?
The canonical SMILES for 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione is CCCCCCCCN1CC(=O)NC(CC(C)C)C1=O.
What is the InChIKey of 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione?
The InChIKey is KZNZBJHZWIFDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-4-5-6-7-8-9-10-18-12-15(19)17-14(16(18)20)11-13(2)3/h13-14H,4-12H2,1-3H3,(H,17,19).
What are the key properties of 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione?
3-(2-methylpropyl)-1-octylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1-octylpiperazine-2,5-dione is sourced from PubChem (CID 64879391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).