[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate

C18H32N2O3 — CID 141279590

IUPAC[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate
SMILESCCN1CCN(C(=O)C=CCCCCCCCOC(C)=O)CC1
InChIInChI=1S/C18H32N2O3/c1-3-19-12-14-20(15-13-19)18(22)11-9-7-5-4-6-8-10-16-23-17(2)21/h9,11H,3-8,10,12-16H2,1-2H3
InChIKeyVFJLJMFZUMJEIA-UHFFFAOYSA-N
MW324.47 g/mol
LogP2.61
Rot. Bonds10

About [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate

[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate (PubChem CID 141279590) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate.

Molecular Properties

Compound Name[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate
PubChem CID141279590
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate
SMILESCCN1CCN(C(=O)C=CCCCCCCCOC(C)=O)CC1
InChIInChI=1S/C18H32N2O3/c1-3-19-12-14-20(15-13-19)18(22)11-9-7-5-4-6-8-10-16-23-17(2)21/h9,11H,3-8,10,12-16H2,1-2H3
InChIKeyVFJLJMFZUMJEIA-UHFFFAOYSA-N
XLogP2.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

20-acetyloxyicos-11-enyl acetate
CID 537116
[(E)-18-acetyloxyoctadec-9-enyl] acetate
CID 11783567
[(Z)-tridec-10-enyl] acetate
CID 13086957
octadec-8-enyl acetate
CID 538134
[(Z)-octadec-13-enyl] acetate
CID 5363293
[(Z)-tridec-8-enyl] acetate
CID 10014538
hexadec-8-enyl acetate
CID 538136
[(Z)-icos-11-enyl] acetate
CID 11493805
[(Z)-pentadec-7-enyl] acetate
CID 102286743
[(E)-12-acetyloxy-6-oxododec-7-enyl] acetate
CID 132509897
16-acetyloxyhexadeca-4,12-dienyl acetate
CID 54570942
[(4E,12E)-16-acetyloxyhexadeca-4,12-dienyl] acetate
CID 23331437

Frequently Asked Questions

What is the IUPAC name of [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate?
The IUPAC name of [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate (CID 141279590) is [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate.
What is the SMILES notation for [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate?
The canonical SMILES for [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate is CCN1CCN(C(=O)C=CCCCCCCCOC(C)=O)CC1.
What is the InChIKey of [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate?
The InChIKey is VFJLJMFZUMJEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O3/c1-3-19-12-14-20(15-13-19)18(22)11-9-7-5-4-6-8-10-16-23-17(2)21/h9,11H,3-8,10,12-16H2,1-2H3.
What are the key properties of [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate?
[10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate has a molecular weight of 324.47 g/mol, XLogP of 2.61, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(4-ethylpiperazin-1-yl)-10-oxodec-8-enyl] acetate is sourced from PubChem (CID 141279590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).