6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione

C15H26N2O3 — CID 104650445

IUPAC6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
SMILESCOCCCCN1C(=O)CNC(=O)C1C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19)
InChIKeyPNIMLVLDLNUOSO-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds6

About 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione

6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione (PubChem CID 104650445) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
PubChem CID104650445
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione
SMILESCOCCCCN1C(=O)CNC(=O)C1C1CCCCC1
InChIInChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19)
InChIKeyPNIMLVLDLNUOSO-UHFFFAOYSA-N
XLogP1.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione (CID 104650445) is 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione is COCCCCN1C(=O)CNC(=O)C1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
The InChIKey is PNIMLVLDLNUOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-20-10-6-5-9-17-13(18)11-16-15(19)14(17)12-7-3-2-4-8-12/h12,14H,2-11H2,1H3,(H,16,19).
What are the key properties of 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione?
6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione has a molecular weight of 282.38 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-(4-methoxybutyl)piperazine-2,5-dione is sourced from PubChem (CID 104650445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).