1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione

C15H28N2O3 — CID 103016836

IUPAC1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CCC(C)(C)OC)C1=O
InChIInChI=1S/C15H28N2O3/c1-7-8-11-12(18)17(10-9-14(2,3)20-6)15(4,5)13(19)16-11/h11H,7-10H2,1-6H3,(H,16,19)
InChIKeyVZZGYSRCLYDUJR-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.71
Rot. Bonds6

About 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione

1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione (PubChem CID 103016836) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
PubChem CID103016836
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(C)(C)N(CCC(C)(C)OC)C1=O
InChIInChI=1S/C15H28N2O3/c1-7-8-11-12(18)17(10-9-14(2,3)20-6)15(4,5)13(19)16-11/h11H,7-10H2,1-6H3,(H,16,19)
InChIKeyVZZGYSRCLYDUJR-UHFFFAOYSA-N
XLogP1.71
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione with MolForge

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Related Compounds

3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
CID 103016903
6,6-dimethyl-1-pentyl-3-propylpiperazine-2,5-dione
CID 64873577
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
CID 103037387
6,6-dimethyl-3-propyl-1-[2-(trifluoromethylsulfanyl)ethyl]piperazine-2,5-dione
CID 116627631
6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872609
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279
6,6-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propylpiperazine-2,5-dione
CID 103016837
3-ethyl-6,6-dimethyl-1-pentylpiperazine-2,5-dione
CID 64903586
6,6-dimethyl-3-propyl-1-(pyrimidin-2-ylmethyl)piperazine-2,5-dione
CID 64874564
6-ethyl-1-(4-methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 104650364
3-ethyl-1-(2-fluoroethyl)-6,6-dimethylpiperazine-2,5-dione
CID 80696451
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione?
The IUPAC name of 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione (CID 103016836) is 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione?
The canonical SMILES for 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione is CCCC1NC(=O)C(C)(C)N(CCC(C)(C)OC)C1=O.
What is the InChIKey of 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione?
The InChIKey is VZZGYSRCLYDUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-8-11-12(18)17(10-9-14(2,3)20-6)15(4,5)13(19)16-11/h11H,7-10H2,1-6H3,(H,16,19).
What are the key properties of 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione?
1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione has a molecular weight of 284.40 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione is sourced from PubChem (CID 103016836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).