1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C17H32N2O2 — CID 64901357

IUPAC1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(CC(C)C)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(11-12(2)3)14(20)19(17)10-9-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,18,21)
InChIKeyLKRDWSFXUXYXJN-UHFFFAOYSA-N
MW296.46 g/mol
LogP2.96
Rot. Bonds5

About 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64901357) has the molecular formula C17H32N2O2 and a molecular weight of 296.46 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64901357
Molecular FormulaC17H32N2O2
Molecular Weight296.46 g/mol
Exact Mass296.25
IUPAC Name1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1(C)C(=O)NC(CC(C)C)C(=O)N1CCC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(11-12(2)3)14(20)19(17)10-9-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,18,21)
InChIKeyLKRDWSFXUXYXJN-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-6-methyl-3-(2-methylpropyl)-1-(2-methylsulfonylethyl)piperazine-2,5-dione
CID 64901542
6,6-dimethyl-3-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64901168
6-ethyl-3,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64874502
6-ethyl-6-methyl-1-(4-methylpentyl)-3-propylpiperazine-2,5-dione
CID 83169739
3-tert-butyl-6-ethyl-6-methyl-1-(4-methylpentyl)piperazine-2,5-dione
CID 83148918
3-cyclopropyl-6-ethyl-6-methyl-1-(3,3,3-trifluoropropyl)piperazine-2,5-dione
CID 64887340
6-ethyl-6-methyl-3-(2-methylpropyl)-1-(oxolan-3-yl)piperazine-2,5-dione
CID 64901545
6-cyclopropyl-1-(3,3-dimethylbutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64872609
1-butyl-6-ethyl-6-methyl-3-propan-2-ylpiperazine-2,5-dione
CID 64874004
6-ethyl-1-(3-fluoropropyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 81113360
6-ethyl-6-methyl-1-(2-propoxyethyl)-3-propylpiperazine-2,5-dione
CID 106458956
6-ethyl-3,6-dimethyl-1-(3-methylsulfanylpropyl)piperazine-2,5-dione
CID 113474617

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 64901357) is 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CCC1(C)C(=O)NC(CC(C)C)C(=O)N1CCC(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is LKRDWSFXUXYXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-8-17(7)15(21)18-13(11-12(2)3)14(20)19(17)10-9-16(4,5)6/h12-13H,8-11H2,1-7H3,(H,18,21).
What are the key properties of 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.46 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-6-ethyl-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64901357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).