1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione

C16H30N2O2 — CID 82934942

IUPAC1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CCC)N(CC(CC)CC)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-9-13-16(20)18(11-12(7-3)8-4)14(10-6-2)15(19)17-13/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyLFXAKTUKRXAAIZ-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds8

About 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione

1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione (PubChem CID 82934942) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
PubChem CID82934942
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione
SMILESCCCC1NC(=O)C(CCC)N(CC(CC)CC)C1=O
InChIInChI=1S/C16H30N2O2/c1-5-9-13-16(20)18(11-12(7-3)8-4)14(10-6-2)15(19)17-13/h12-14H,5-11H2,1-4H3,(H,17,19)
InChIKeyLFXAKTUKRXAAIZ-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.72
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(L-Pro-L-Val)
CID 6992261
Pyrrolo(1,2-a)pyrazine-1,4-dione, hexahydro-3-(1-methylethyl)-
CID 98951
Cyclo(alanyl-leucyl)
CID 13879946
3-Isopropyl-6-methyl-2,5-dioxopiperazine
CID 139895
L-valyl-L-proline hexylamide
CID 11623539
3-sec-Butyl-pyrrolopiperazine-1,4-dione
CID 6428988
LM11A-31
CID 18604758
4-(Cyclopentanecarbonyl)piperazin-2-one
CID 833668
(2S)-aminobutyryl-L-proline-(2S)-methylbutylamide
CID 11623159

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione?
The IUPAC name of 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione (CID 82934942) is 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione is CCCC1NC(=O)C(CCC)N(CC(CC)CC)C1=O.
What is the InChIKey of 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione?
The InChIKey is LFXAKTUKRXAAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-5-9-13-16(20)18(11-12(7-3)8-4)14(10-6-2)15(19)17-13/h12-14H,5-11H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione?
1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylbutyl)-3,6-dipropylpiperazine-2,5-dione is sourced from PubChem (CID 82934942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).