4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione

C12H23N3O2 — CID 106708160

IUPAC4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
SMILESCC(C)(CN)CCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,9-13)5-3-4-6-15-7-10(16)14-11(17)8-15/h3-9,13H2,1-2H3,(H,14,16,17)
InChIKeyMYPOVUXVOFXGLL-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.10
Rot. Bonds6

About 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione

4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione (PubChem CID 106708160) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
PubChem CID106708160
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione
SMILESCC(C)(CN)CCCCN1CC(=O)NC(=O)C1
InChIInChI=1S/C12H23N3O2/c1-12(2,9-13)5-3-4-6-15-7-10(16)14-11(17)8-15/h3-9,13H2,1-2H3,(H,14,16,17)
InChIKeyMYPOVUXVOFXGLL-UHFFFAOYSA-N
XLogP0.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(6S)-6-(4-aminobutyl)-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 23640882
1-Piperidineacetamide, N-(1,1-dimethylpentyl)-, hydrochloride
CID 3065937
(6R)-6-butyl-1-(2,2-dimethylpropyl)piperazine-2,3-dione
CID 16745935
N-(3,3-dimethylbutyl)-2-piperazin-1-ylacetamide
CID 49853674
1-Piperidineacetamide, N-hexyl-
CID 3063350
1-Piperidineacetamide, N-(1,1,3,3-tetramethylbutyl)-, hydrochloride
CID 24842493
N1-((1-methylpiperidin-4-yl)methyl)-N2-propyloxalamide
CID 16886495
2,2-dimethyl-N-[1-(3-methylpiperidin-1-yl)-1-oxopropan-2-yl]propanamide
CID 42942617
N-[1-(5-azaspiro[2.5]octan-5-yl)-1-oxopropan-2-yl]acetamide
CID 86816029
2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
CID 94163388
5-Trimethyl-4-(diethylaminoacetylamino)piperidine
CID 129781627
N-(2-methylhexan-2-yl)-2-piperidin-1-ylacetamide
CID 3065938

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione?
The IUPAC name of 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione (CID 106708160) is 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione?
The canonical SMILES for 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione is CC(C)(CN)CCCCN1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione?
The InChIKey is MYPOVUXVOFXGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-12(2,9-13)5-3-4-6-15-7-10(16)14-11(17)8-15/h3-9,13H2,1-2H3,(H,14,16,17).
What are the key properties of 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione?
4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione has a molecular weight of 241.33 g/mol, XLogP of 0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5,5-dimethylhexyl)piperazine-2,6-dione is sourced from PubChem (CID 106708160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).