6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione

C16H30N2O2 — CID 64964823

IUPAC6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1C(CC)C(C)C
InChIInChI=1S/C16H30N2O2/c1-7-13(11(5)6)18-14(8-2)15(19)17-12(16(18)20)9-10(3)4/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyVVGKPQUGSPEUIL-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.57
Rot. Bonds6

About 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione

6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 64964823) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID64964823
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC1C(=O)NC(CC(C)C)C(=O)N1C(CC)C(C)C
InChIInChI=1S/C16H30N2O2/c1-7-13(11(5)6)18-14(8-2)15(19)17-12(16(18)20)9-10(3)4/h10-14H,7-9H2,1-6H3,(H,17,19)
InChIKeyVVGKPQUGSPEUIL-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-ethyl-1-(3-methylbut-2-enyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 107902162
3-(2-methylpentan-3-yl)-5-(2-methylpropyl)-2-propylimidazolidin-4-one
CID 83247146
6-ethyl-3-(2-methylpropyl)-1-pent-3-ynylpiperazine-2,5-dione
CID 116645570
6-methyl-1-(2-methylpentan-3-yl)-3-propylpiperazine-2,5-dione
CID 64964662
6-ethyl-3-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine-2,5-dione
CID 64902486
6-ethyl-1-(1-methylcyclopentyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64973563
(3S,6S,9S,12S,15S)-1,7-dimethyl-3,6,9,12,15-pentakis(2-methylpropyl)-1,4,7,10,13-pentazacyclopentadecane-2,5,8,11,14-pentone
CID 25112188
1,3,6-tris(2-methylpropyl)piperazine-2,5-dione
CID 64902684
1-(4-bromophenyl)-6-ethyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64962593
6-ethyl-1-(2-methyloxolan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 82737139
6-ethyl-1-[2-(2-methylprop-2-enoxy)ethyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 114469767
1,3-diethyl-6-(2-methylpropyl)piperazine-2,5-dione
CID 64902229

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione (CID 64964823) is 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione is CCC1C(=O)NC(CC(C)C)C(=O)N1C(CC)C(C)C.
What is the InChIKey of 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is VVGKPQUGSPEUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-13(11(5)6)18-14(8-2)15(19)17-12(16(18)20)9-10(3)4/h10-14H,7-9H2,1-6H3,(H,17,19).
What are the key properties of 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione?
6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-(2-methylpentan-3-yl)-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 64964823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).