6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione

C15H26N2O3 — CID 104650386

IUPAC6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C15H26N2O3/c1-14(2)13(19)17(9-5-6-10-20-4)15(3,11-7-8-11)12(18)16-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyAOKMJHFMVGMLDF-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds6

About 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione

6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione (PubChem CID 104650386) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
PubChem CID104650386
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione
SMILESCOCCCCN1C(=O)C(C)(C)NC(=O)C1(C)C1CC1
InChIInChI=1S/C15H26N2O3/c1-14(2)13(19)17(9-5-6-10-20-4)15(3,11-7-8-11)12(18)16-14/h11H,5-10H2,1-4H3,(H,16,18)
InChIKeyAOKMJHFMVGMLDF-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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Related Compounds

6-cyclopropyl-3-ethyl-1-(4-methoxybutyl)-3,6-dimethylpiperazine-2,5-dione
CID 104650419
1-butyl-3,6-dicyclopropyl-3,6-dimethylpiperazine-2,5-dione
CID 64885387
6-cyclopropyl-1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 104650380
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
6-cyclopropyl-3,3-diethyl-1-(3-fluoropropyl)-6-methylpiperazine-2,5-dione
CID 81110148
8-cyclopropyl-9-(3-fluoropropyl)-8-methyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 81113254
1-(4-methoxybutyl)-3,3-dimethylpiperazine-2,5-dione
CID 64967331
1-(4-methoxybutyl)-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 104649853
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-2-ylmethyl)piperazine-2,5-dione
CID 64903543
6-cyclopropyl-3,3,6-trimethyl-1-(oxolan-3-ylmethyl)piperazine-2,5-dione
CID 64901434
6-cyclopropyl-3-ethyl-1-(2-methoxyethyl)-6-methylpiperazine-2,5-dione
CID 64903218
6-cyclopropyl-3,3,6-trimethyl-1-(thiophen-3-ylmethyl)piperazine-2,5-dione
CID 64902965

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione (CID 104650386) is 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione is COCCCCN1C(=O)C(C)(C)NC(=O)C1(C)C1CC1.
What is the InChIKey of 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione?
The InChIKey is AOKMJHFMVGMLDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2)13(19)17(9-5-6-10-20-4)15(3,11-7-8-11)12(18)16-14/h11H,5-10H2,1-4H3,(H,16,18).
What are the key properties of 6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione?
6-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-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-cyclopropyl-1-(4-methoxybutyl)-3,3,6-trimethylpiperazine-2,5-dione is sourced from PubChem (CID 104650386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).