bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate

C30H54N4O6 — CID 59109279

IUPACbis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate
SMILESCC1(C)CN(CCOC(=O)CCCCCCCCC(=O)OCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C30H54N4O6/c1-27(2)21-33(25(37)29(5,6)31-27)17-19-39-23(35)15-13-11-9-10-12-14-16-24(36)40-20-18-34-22-28(3,4)32-30(7,8)26(34)38/h31-32H,9-22H2,1-8H3
InChIKeyZBNZMVORAPXFQV-UHFFFAOYSA-N
MW566.78 g/mol
LogP3.17
Rot. Bonds15

About bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate

bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate (PubChem CID 59109279) has the molecular formula C30H54N4O6 and a molecular weight of 566.78 g/mol. Its IUPAC name is bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate.

Molecular Properties

Compound Namebis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate
PubChem CID59109279
Molecular FormulaC30H54N4O6
Molecular Weight566.78 g/mol
Exact Mass566.40
IUPAC Namebis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate
SMILESCC1(C)CN(CCOC(=O)CCCCCCCCC(=O)OCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1
InChIInChI=1S/C30H54N4O6/c1-27(2)21-33(25(37)29(5,6)31-27)17-19-39-23(35)15-13-11-9-10-12-14-16-24(36)40-20-18-34-22-28(3,4)32-30(7,8)26(34)38/h31-32H,9-22H2,1-8H3
InChIKeyZBNZMVORAPXFQV-UHFFFAOYSA-N
XLogP3.17
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.78
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate?
The IUPAC name of bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate (CID 59109279) is bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate.
What is the SMILES notation for bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate?
The canonical SMILES for bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate is CC1(C)CN(CCOC(=O)CCCCCCCCC(=O)OCCN2CC(C)(C)NC(C)(C)C2=O)C(=O)C(C)(C)N1.
What is the InChIKey of bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate?
The InChIKey is ZBNZMVORAPXFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H54N4O6/c1-27(2)21-33(25(37)29(5,6)31-27)17-19-39-23(35)15-13-11-9-10-12-14-16-24(36)40-20-18-34-22-28(3,4)32-30(7,8)26(34)38/h31-32H,9-22H2,1-8H3.
What are the key properties of bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate?
bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate has a molecular weight of 566.78 g/mol, XLogP of 3.17, 15 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis[2-(3,3,5,5-tetramethyl-2-oxopiperazin-1-yl)ethyl] decanedioate is sourced from PubChem (CID 59109279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).