1-nonan-4-ylpiperazin-2-one

C13H26N2O — CID 129260157

IUPAC1-nonan-4-ylpiperazin-2-one
SMILESCCCCCC(CCC)N1CCNCC1=O
InChIInChI=1S/C13H26N2O/c1-3-5-6-8-12(7-4-2)15-10-9-14-11-13(15)16/h12,14H,3-11H2,1-2H3
InChIKeyAXNRTEJXLOZVQL-UHFFFAOYSA-N
MW226.36 g/mol
LogP2.17
Rot. Bonds7

About 1-nonan-4-ylpiperazin-2-one

1-nonan-4-ylpiperazin-2-one (PubChem CID 129260157) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-nonan-4-ylpiperazin-2-one.

Molecular Properties

Compound Name1-nonan-4-ylpiperazin-2-one
PubChem CID129260157
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-nonan-4-ylpiperazin-2-one
SMILESCCCCCC(CCC)N1CCNCC1=O
InChIInChI=1S/C13H26N2O/c1-3-5-6-8-12(7-4-2)15-10-9-14-11-13(15)16/h12,14H,3-11H2,1-2H3
InChIKeyAXNRTEJXLOZVQL-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 52.17
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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Related Compounds

1-octan-4-ylpiperazine-2,5-dione
CID 106027657
1-butan-2-ylpiperazin-2-one;hydrobromide
CID 141488903
1-hexylpiperazin-2-one
CID 62311409
1-decan-3-ylpyrrolidin-2-one
CID 175032444
1-hexan-3-yl-1,4-diazepane-2,5-dione
CID 64968950
1-octadecan-4-ylaziridine
CID 87223215
1-(1-cyclohexylpropyl)piperazin-2-one
CID 64566211
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146
2-imidazolidin-1-ylnonadecan-1-amine
CID 70543181
1-octan-2-ylpiperazine-2,5-dione
CID 64955606
1-[(3R)-hexan-3-yl]pyrrolidin-2-one
CID 142812030
4-hexan-3-yl-1,2,4-triazinan-3-one
CID 145049642

Frequently Asked Questions

What is the IUPAC name of 1-nonan-4-ylpiperazin-2-one?
The IUPAC name of 1-nonan-4-ylpiperazin-2-one (CID 129260157) is 1-nonan-4-ylpiperazin-2-one.
What is the SMILES notation for 1-nonan-4-ylpiperazin-2-one?
The canonical SMILES for 1-nonan-4-ylpiperazin-2-one is CCCCCC(CCC)N1CCNCC1=O.
What is the InChIKey of 1-nonan-4-ylpiperazin-2-one?
The InChIKey is AXNRTEJXLOZVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-3-5-6-8-12(7-4-2)15-10-9-14-11-13(15)16/h12,14H,3-11H2,1-2H3.
What are the key properties of 1-nonan-4-ylpiperazin-2-one?
1-nonan-4-ylpiperazin-2-one has a molecular weight of 226.36 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonan-4-ylpiperazin-2-one is sourced from PubChem (CID 129260157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).