3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione

C17H32N2O2 — CID 64902150

IUPAC3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)(CC)N(CCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-13(6)14-15(20)19(11-10-12(4)5)17(8-2,9-3)16(21)18-14/h12-14H,7-11H2,1-6H3,(H,18,21)
InChIKeyHNRQMEBERWCXON-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.96
Rot. Bonds7

About 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione

3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 64902150) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione
PubChem CID64902150
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)(CC)N(CCC(C)C)C1=O
InChIInChI=1S/C17H32N2O2/c1-7-13(6)14-15(20)19(11-10-12(4)5)17(8-2,9-3)16(21)18-14/h12-14H,7-11H2,1-6H3,(H,18,21)
InChIKeyHNRQMEBERWCXON-UHFFFAOYSA-N
XLogP2.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yl-1-(cyclobutylmethyl)-6,6-diethylpiperazine-2,5-dione
CID 65460488
3-butan-2-yl-6,6-dimethyl-1-propylpiperazine-2,5-dione
CID 64901946
3-cyclopropyl-6,6-diethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64885576
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
3-butan-2-yl-1-(3-chloro-2-methylprop-2-enyl)-6-ethyl-6-methylpiperazine-2,5-dione
CID 106440716
3-butan-2-yl-6-cyclopropyl-6-methyl-1-pentan-2-ylpiperazine-2,5-dione
CID 107888864
3-ethyl-6,6-dimethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64903585
6,6-diethyl-1-(3-fluoropropyl)-3-methylpiperazine-2,5-dione
CID 81113601
3-butan-2-yl-6-cyclopropyl-1-(3-methoxypropyl)-6-methylpiperazine-2,5-dione
CID 64901198
1-benzyl-3-butan-2-yl-6-methyl-6-phenylpiperazine-2,5-dione
CID 64903675
(7S,9aR)-7-[(2S)-butan-2-yl]-2-(3-methylbutyl)-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-6,9-dione
CID 56854048
3-butan-2-yl-1-(5-methylhexyl)-1,4-diazepane-2,5-dione
CID 115327141

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione (CID 64902150) is 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)(CC)N(CCC(C)C)C1=O.
What is the InChIKey of 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is HNRQMEBERWCXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-13(6)14-15(20)19(11-10-12(4)5)17(8-2,9-3)16(21)18-14/h12-14H,7-11H2,1-6H3,(H,18,21).
What are the key properties of 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione?
3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6,6-diethyl-1-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64902150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).