2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate

C22H42N2O3 — CID 59109292

IUPAC2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C22H42N2O3/c1-6-7-8-9-10-11-12-13-14-15-19(25)27-17-16-24-18-21(2,3)23-22(4,5)20(24)26/h23H,6-18H2,1-5H3
InChIKeyLUKQVDGSZIXOQQ-UHFFFAOYSA-N
MW382.59 g/mol
LogP4.44
Rot. Bonds13

About 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate

2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate (PubChem CID 59109292) has the molecular formula C22H42N2O3 and a molecular weight of 382.59 g/mol. Its IUPAC name is 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate.

Molecular Properties

Compound Name2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate
PubChem CID59109292
Molecular FormulaC22H42N2O3
Molecular Weight382.59 g/mol
Exact Mass382.32
IUPAC Name2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate
SMILESCCCCCCCCCCCC(=O)OCCN1CC(C)(C)NC(C)(C)C1=O
InChIInChI=1S/C22H42N2O3/c1-6-7-8-9-10-11-12-13-14-15-19(25)27-17-16-24-18-21(2,3)23-22(4,5)20(24)26/h23H,6-18H2,1-5H3
InChIKeyLUKQVDGSZIXOQQ-UHFFFAOYSA-N
XLogP4.44
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.59
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate?
The IUPAC name of 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate (CID 59109292) is 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate.
What is the SMILES notation for 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate?
The canonical SMILES for 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate is CCCCCCCCCCCC(=O)OCCN1CC(C)(C)NC(C)(C)C1=O.
What is the InChIKey of 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate?
The InChIKey is LUKQVDGSZIXOQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N2O3/c1-6-7-8-9-10-11-12-13-14-15-19(25)27-17-16-24-18-21(2,3)23-22(4,5)20(24)26/h23H,6-18H2,1-5H3.
What are the key properties of 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate?
2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate has a molecular weight of 382.59 g/mol, XLogP of 4.44, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl dodecanoate is sourced from PubChem (CID 59109292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).