3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione

C16H30N2O3 — CID 103016903

IUPAC3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCOC(C)(C)CCN1C(=O)C(C(C)(C)C)NC(=O)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-14(2,3)11-12(19)18(10-9-15(4,5)21-8)16(6,7)13(20)17-11/h11H,9-10H2,1-8H3,(H,17,20)
InChIKeyMPGSFZUTWNXSFB-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.95
Rot. Bonds4

About 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione

3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione (PubChem CID 103016903) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
PubChem CID103016903
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione
SMILESCOC(C)(C)CCN1C(=O)C(C(C)(C)C)NC(=O)C1(C)C
InChIInChI=1S/C16H30N2O3/c1-14(2,3)11-12(19)18(10-9-15(4,5)21-8)16(6,7)13(20)17-11/h11H,9-10H2,1-8H3,(H,17,20)
InChIKeyMPGSFZUTWNXSFB-UHFFFAOYSA-N
XLogP1.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione with MolForge

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Related Compounds

1-(3-methoxy-3-methylbutyl)-6,6-dimethyl-3-propylpiperazine-2,5-dione
CID 103016836
1-(3-methoxy-3-methylbutyl)-5,5-dimethylimidazolidine-2,4-dione
CID 103037387
3-tert-butyl-6,6-dimethyl-1-[2-(oxolan-2-yl)ethyl]piperazine-2,5-dione
CID 65170251
3-tert-butyl-6,6-dimethyl-1-[(2-methyltetrazol-5-yl)methyl]piperazine-2,5-dione
CID 107056572
3-tert-butyl-6,6-dimethyl-1-(oxan-4-ylmethyl)piperazine-2,5-dione
CID 64902280
3-tert-butyl-6,6-dimethyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64901135
3-tert-butyl-1-cyclohexyl-6,6-dimethylpiperazine-2,5-dione
CID 82936711
8-tert-butyl-6-propyl-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64902860
1-butan-2-yl-3-tert-butyl-6,6-dimethylpiperazine-2,5-dione
CID 79451893
6-ethyl-1-(3-methoxy-3-methylbutyl)-6-methylpiperazine-2,5-dione
CID 103016981
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
3-ethyl-6,6-dimethyl-1-(4,4,4-trifluorobutyl)piperazine-2,5-dione
CID 115519279

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione (CID 103016903) is 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione is COC(C)(C)CCN1C(=O)C(C(C)(C)C)NC(=O)C1(C)C.
What is the InChIKey of 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione?
The InChIKey is MPGSFZUTWNXSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-14(2,3)11-12(19)18(10-9-15(4,5)21-8)16(6,7)13(20)17-11/h11H,9-10H2,1-8H3,(H,17,20).
What are the key properties of 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione?
3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione has a molecular weight of 298.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(3-methoxy-3-methylbutyl)-6,6-dimethylpiperazine-2,5-dione is sourced from PubChem (CID 103016903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).