1-octan-2-ylpiperazine-2,5-dione

C12H22N2O2 — CID 64955606

IUPAC1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1CC(=O)NCC1=O
InChIInChI=1S/C12H22N2O2/c1-3-4-5-6-7-10(2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNHDQEMONKJDQLK-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.30
Rot. Bonds6

About 1-octan-2-ylpiperazine-2,5-dione

1-octan-2-ylpiperazine-2,5-dione (PubChem CID 64955606) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 1-octan-2-ylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-octan-2-ylpiperazine-2,5-dione
PubChem CID64955606
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name1-octan-2-ylpiperazine-2,5-dione
SMILESCCCCCCC(C)N1CC(=O)NCC1=O
InChIInChI=1S/C12H22N2O2/c1-3-4-5-6-7-10(2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyNHDQEMONKJDQLK-UHFFFAOYSA-N
XLogP1.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.30
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 1-octan-2-ylpiperazine-2,5-dione?
The IUPAC name of 1-octan-2-ylpiperazine-2,5-dione (CID 64955606) is 1-octan-2-ylpiperazine-2,5-dione.
What is the SMILES notation for 1-octan-2-ylpiperazine-2,5-dione?
The canonical SMILES for 1-octan-2-ylpiperazine-2,5-dione is CCCCCCC(C)N1CC(=O)NCC1=O.
What is the InChIKey of 1-octan-2-ylpiperazine-2,5-dione?
The InChIKey is NHDQEMONKJDQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-4-5-6-7-10(2)14-9-11(15)13-8-12(14)16/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 1-octan-2-ylpiperazine-2,5-dione?
1-octan-2-ylpiperazine-2,5-dione has a molecular weight of 226.32 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-octan-2-ylpiperazine-2,5-dione is sourced from PubChem (CID 64955606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).