1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

C16H30N2O2 — CID 65043356

IUPAC1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(CC)(CC)N1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-7-16(8-2,9-3)18-12(6)14(19)17-13(15(18)20)10-11(4)5/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyCXHJFFIEJKUWBY-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.72
Rot. Bonds6

About 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione

1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (PubChem CID 65043356) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.

Molecular Properties

Compound Name1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
PubChem CID65043356
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
SMILESCCC(CC)(CC)N1C(=O)C(CC(C)C)NC(=O)C1C
InChIInChI=1S/C16H30N2O2/c1-7-16(8-2,9-3)18-12(6)14(19)17-13(15(18)20)10-11(4)5/h11-13H,7-10H2,1-6H3,(H,17,19)
InChIKeyCXHJFFIEJKUWBY-UHFFFAOYSA-N
XLogP2.72
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 ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpentan-3-yl)-3,6-dimethylpiperazine-2,5-dione
CID 65043309
6-methyl-1,3-bis(2-methylpropyl)piperazine-2,5-dione
CID 64900761
6-methyl-3-(2-methylpropyl)-1-(2,3,3-trimethylbutyl)piperazine-2,5-dione
CID 83146598
1-(3-ethoxypropyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64959221
1-(1-methoxypropan-2-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64956777
(3R,6S)-3,6-bis(2-methylpropyl)piperazine-2,5-dione
CID 23278156
1-(cyclobutylmethyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64960282
1-(2,4-dibromophenyl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64965232
6-methyl-1-[(1-methylcyclopentyl)methyl]-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971117
1-(1-cyclopropylpyrrolidin-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64967397
1-[2-(furan-2-yl)ethyl]-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione
CID 64964778
3-ethyl-6-methyl-1-(2-methylbut-3-yn-2-yl)piperazine-2,5-dione
CID 64972480

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The IUPAC name of 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione (CID 65043356) is 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione.
What is the SMILES notation for 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The canonical SMILES for 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is CCC(CC)(CC)N1C(=O)C(CC(C)C)NC(=O)C1C.
What is the InChIKey of 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
The InChIKey is CXHJFFIEJKUWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-7-16(8-2,9-3)18-12(6)14(19)17-13(15(18)20)10-11(4)5/h11-13H,7-10H2,1-6H3,(H,17,19).
What are the key properties of 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione?
1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione has a molecular weight of 282.43 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpentan-3-yl)-6-methyl-3-(2-methylpropyl)piperazine-2,5-dione is sourced from PubChem (CID 65043356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).