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

C17H32N2O2 — CID 64900962

IUPAC6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(CC(C)C)C(=O)N1CCC(C)C
InChIInChI=1S/C17H32N2O2/c1-7-13(6)15-16(20)18-14(10-12(4)5)17(21)19(15)9-8-11(2)3/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyNLFWKQJQOFTDHV-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.82
Rot. Bonds7

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

6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64900962) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64900962
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(C)C1C(=O)NC(CC(C)C)C(=O)N1CCC(C)C
InChIInChI=1S/C17H32N2O2/c1-7-13(6)15-16(20)18-14(10-12(4)5)17(21)19(15)9-8-11(2)3/h11-15H,7-10H2,1-6H3,(H,18,20)
InChIKeyNLFWKQJQOFTDHV-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-butan-2-yl-3-ethyl-1-(3-methylbutyl)piperazine-2,5-dione
CID 64901459
1-(3-methylbutyl)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 64902109
1-(2-ethoxyethyl)-3-(2-methylpropyl)-6-propan-2-ylpiperazine-2,5-dione
CID 64903642
3-butan-2-yl-1-(3-methylbutyl)-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902911
1-(3-methylbutyl)-3,6-di(propan-2-yl)piperazine-2,5-dione
CID 64872808
5-butan-2-yl-3-(3-methylbutyl)-2-(2-methylpropyl)imidazolidin-4-one
CID 83237061
3-(2-methylpropyl)-6-propan-2-yl-1-(2-prop-2-enylsulfanylethyl)piperazine-2,5-dione
CID 106432930
(3S,6S,9S)-6-butan-2-yl-1-ethylphosphanyl-3-(2-methylpropyl)-9-propan-2-yl-1,4,7-triazonane-2,5,8-trione
CID 175549992
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
6-butan-2-yl-1-(3,3-dimethylbutyl)-3-methylpiperazine-2,5-dione
CID 64872717
(3S,6S)-3-butan-2-yl-6-(2-methylpropyl)piperazine-2,5-dione
CID 15226952

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64900962) is 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione is CCC(C)C1C(=O)NC(CC(C)C)C(=O)N1CCC(C)C.
What is the InChIKey of 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is NLFWKQJQOFTDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-7-13(6)15-16(20)18-14(10-12(4)5)17(21)19(15)9-8-11(2)3/h11-15H,7-10H2,1-6H3,(H,18,20).
What are the key properties of 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 296.45 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yl-1-(3-methylbutyl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64900962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).