1-heptyl-3,3-dimethylpiperazine-2,5-dione

C13H24N2O2 — CID 64879590

IUPAC1-heptyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCCCCCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-7-8-9-15-10-11(16)14-13(2,3)12(15)17/h4-10H2,1-3H3,(H,14,16)
InChIKeyJYYFVCBVSKCJAX-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.69
Rot. Bonds6

About 1-heptyl-3,3-dimethylpiperazine-2,5-dione

1-heptyl-3,3-dimethylpiperazine-2,5-dione (PubChem CID 64879590) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-heptyl-3,3-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-heptyl-3,3-dimethylpiperazine-2,5-dione
PubChem CID64879590
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name1-heptyl-3,3-dimethylpiperazine-2,5-dione
SMILESCCCCCCCN1CC(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H24N2O2/c1-4-5-6-7-8-9-15-10-11(16)14-13(2,3)12(15)17/h4-10H2,1-3H3,(H,14,16)
InChIKeyJYYFVCBVSKCJAX-UHFFFAOYSA-N
XLogP1.69
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-heptyl-3,3-dimethylpiperazine-2,5-dione?
The IUPAC name of 1-heptyl-3,3-dimethylpiperazine-2,5-dione (CID 64879590) is 1-heptyl-3,3-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 1-heptyl-3,3-dimethylpiperazine-2,5-dione?
The canonical SMILES for 1-heptyl-3,3-dimethylpiperazine-2,5-dione is CCCCCCCN1CC(=O)NC(C)(C)C1=O.
What is the InChIKey of 1-heptyl-3,3-dimethylpiperazine-2,5-dione?
The InChIKey is JYYFVCBVSKCJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-5-6-7-8-9-15-10-11(16)14-13(2,3)12(15)17/h4-10H2,1-3H3,(H,14,16).
What are the key properties of 1-heptyl-3,3-dimethylpiperazine-2,5-dione?
1-heptyl-3,3-dimethylpiperazine-2,5-dione has a molecular weight of 240.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-3,3-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 64879590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).