6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione

C15H26N2O2 — CID 64887009

IUPAC6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C2CC2)N(CCC(C)C)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-15(4)14(19)17(9-8-10(2)3)12(11-6-7-11)13(18)16-15/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyPDYCTBJGBATJET-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.94
Rot. Bonds5

About 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione

6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione (PubChem CID 64887009) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
PubChem CID64887009
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione
SMILESCCC1(C)NC(=O)C(C2CC2)N(CCC(C)C)C1=O
InChIInChI=1S/C15H26N2O2/c1-5-15(4)14(19)17(9-8-10(2)3)12(11-6-7-11)13(18)16-15/h10-12H,5-9H2,1-4H3,(H,16,18)
InChIKeyPDYCTBJGBATJET-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cyclo(glycyl-L-leucyl)
CID 927723
Cyclo(L-leucyl-L-leucyl)
CID 192731
Cyclo(leucylglycine)
CID 2902
Cyclo(alanyl-leucyl)
CID 13879946
(3S,6S)-3,6-Diisopropylpiperazine-2,5-dione
CID 7075896
3-Isobutyl-6-methyl-2,5-piperazinedione
CID 3634567
(3S,6S)-3-(2-Methylpropyl)-6-(propan-2-yl)piperazine-2,5-dione
CID 25220884
3-(2-Butanyl)-6-methyl-2,5-piperazinedione
CID 45359405
(3S,6S)-3-((2S)-butan-2-yl)-6-methylpiperazine-2,5-dione
CID 71359704
(2S,3S)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433952
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-methylpentan-1-one
CID 44433953
Cyclo-L-Val-L-Val
CID 637596

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione?
The IUPAC name of 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione (CID 64887009) is 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione.
What is the SMILES notation for 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione?
The canonical SMILES for 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione is CCC1(C)NC(=O)C(C2CC2)N(CCC(C)C)C1=O.
What is the InChIKey of 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione?
The InChIKey is PDYCTBJGBATJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-5-15(4)14(19)17(9-8-10(2)3)12(11-6-7-11)13(18)16-15/h10-12H,5-9H2,1-4H3,(H,16,18).
What are the key properties of 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione?
6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione has a molecular weight of 266.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-ethyl-3-methyl-1-(3-methylbutyl)piperazine-2,5-dione is sourced from PubChem (CID 64887009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).