3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

C22H38N4O4 — CID 20741656

IUPAC3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C22H38N4O4/c1-19(2)15(27)25(16(28)20(3,4)23-19)13-11-9-10-12-14-26-17(29)21(5,6)24-22(7,8)18(26)30/h23-24H,9-14H2,1-8H3
InChIKeyTZSUSYOZWZZZEX-UHFFFAOYSA-N
MW422.57 g/mol
LogP1.58
Rot. Bonds7

About 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione

3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (PubChem CID 20741656) has the molecular formula C22H38N4O4 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
PubChem CID20741656
Molecular FormulaC22H38N4O4
Molecular Weight422.57 g/mol
Exact Mass422.29
IUPAC Name3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione
SMILESCC1(C)NC(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O
InChIInChI=1S/C22H38N4O4/c1-19(2)15(27)25(16(28)20(3,4)23-19)13-11-9-10-12-14-26-17(29)21(5,6)24-22(7,8)18(26)30/h23-24H,9-14H2,1-8H3
InChIKeyTZSUSYOZWZZZEX-UHFFFAOYSA-N
XLogP1.58
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

2-(4-cyclohexylpiperazin-1-yl)-2-methyl-N-propan-2-ylpropanamide
CID 49853885
4-[3-(3,5-Dioxopiperazin-1-yl)pentan-2-yl]piperazine-2,6-dione
CID 311908
N-(2-methylpropyl)-2-[4-(1-propan-2-ylpiperidin-4-yl)piperazin-1-yl]propanamide
CID 75386858
4-[2-Methyl-1-(3-oxopiperazin-1-yl)propan-2-yl]piperazine-2,6-dione
CID 166630181
1,7-Bis(2-oxo-2-(1-piperidinyl)ethyl)-1,4,7,10-tetraazacyclododecane
CID 393890
1,1'-Ethylenebis(3,3,5,5-tetramethylpiperazinone)
CID 116979
1,6-Bis(3,5-dioxopiperazine-1-yl)hexane
CID 53944137
2-(4-acetylpiperazin-1-yl)-N-cyclohexyl-2-methylpropanamide
CID 101398587
N,N'-Hexamethylenebis-1-piperidineacetamide
CID 24842481
1,1'-Hexamethylenebis(iminocarbonylmethylene)bis(1-methylpiperidinium) diiodide
CID 24842909
N-(1,1-dimethylpropyl)-2-(1,4-dimethyl-1,4,9-triazaspiro[5.5]undec-9-yl)-2-oxoacetamide
CID 56752903
4-[2-(3,5-Dioxopiperazin-1-yl)-2-methylpropyl]piperazine-2,6-dione
CID 15077631

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The IUPAC name of 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione (CID 20741656) is 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione.
What is the SMILES notation for 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The canonical SMILES for 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is CC1(C)NC(C)(C)C(=O)N(CCCCCCN2C(=O)C(C)(C)NC(C)(C)C2=O)C1=O.
What is the InChIKey of 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
The InChIKey is TZSUSYOZWZZZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N4O4/c1-19(2)15(27)25(16(28)20(3,4)23-19)13-11-9-10-12-14-26-17(29)21(5,6)24-22(7,8)18(26)30/h23-24H,9-14H2,1-8H3.
What are the key properties of 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione?
3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione has a molecular weight of 422.57 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-1-[6-(3,3,5,5-tetramethyl-2,6-dioxopiperazin-1-yl)hexyl]piperazine-2,6-dione is sourced from PubChem (CID 20741656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).