6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione

C15H28N2O2 — CID 102908625

IUPAC6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC(C(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-13-14(18)16-11(6)15(19)17(13)8-12(9(2)3)10(4)5/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyBQWURGQNQSVRKK-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.04
Rot. Bonds5

About 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione

6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione (PubChem CID 102908625) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
PubChem CID102908625
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC Name6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(C)C(=O)N1CC(C(C)C)C(C)C
InChIInChI=1S/C15H28N2O2/c1-7-13-14(18)16-11(6)15(19)17(13)8-12(9(2)3)10(4)5/h9-13H,7-8H2,1-6H3,(H,16,18)
InChIKeyBQWURGQNQSVRKK-UHFFFAOYSA-N
XLogP2.04
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-3-methyl-1-(2-methylsulfinylpropyl)piperazine-2,5-dione
CID 113484531
6-ethyl-1-(2-ethylhexyl)-3-methylpiperazine-2,5-dione
CID 64873285
6-ethyl-3-methyl-1-pentylpiperazine-2,5-dione
CID 64874269
6-ethyl-3-methyl-1-prop-2-enylpiperazine-2,5-dione
CID 64873287
6-ethyl-1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64873869
6-ethyl-3-methyl-1-(3-propoxypropyl)piperazine-2,5-dione
CID 82947001
1-(2-tert-butylsulfonylethyl)-6-ethyl-3-methylpiperazine-2,5-dione
CID 106733454
1-[(3,5-difluorophenyl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 105410252
1-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 64875259
3-methyl-1-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64872902
6-ethyl-1-[(4-methoxyphenyl)methyl]-3-methylpiperazine-2,5-dione
CID 64872498
1-[(1,1-dioxothiolan-2-yl)methyl]-6-ethyl-3-methylpiperazine-2,5-dione
CID 81039757

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione (CID 102908625) is 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione is CCC1C(=O)NC(C)C(=O)N1CC(C(C)C)C(C)C.
What is the InChIKey of 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione?
The InChIKey is BQWURGQNQSVRKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-7-13-14(18)16-11(6)15(19)17(13)8-12(9(2)3)10(4)5/h9-13H,7-8H2,1-6H3,(H,16,18).
What are the key properties of 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione?
6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione has a molecular weight of 268.40 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-methyl-1-(3-methyl-2-propan-2-ylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 102908625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).