3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione

C14H26N2O3 — CID 64956689

IUPAC3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C(C)COC)C1=O
InChIInChI=1S/C14H26N2O3/c1-6-9(3)12-14(18)16(10(4)8-19-5)11(7-2)13(17)15-12/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyYBZOOALEOHWXDH-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.17
Rot. Bonds6

About 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione

3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione (PubChem CID 64956689) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
PubChem CID64956689
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)C(CC)N(C(C)COC)C1=O
InChIInChI=1S/C14H26N2O3/c1-6-9(3)12-14(18)16(10(4)8-19-5)11(7-2)13(17)15-12/h9-12H,6-8H2,1-5H3,(H,15,17)
InChIKeyYBZOOALEOHWXDH-UHFFFAOYSA-N
XLogP1.17
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione with MolForge

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Related Compounds

6-ethyl-1-(4-methoxybutan-2-yl)-3-propan-2-ylpiperazine-2,5-dione
CID 64973001
3-butan-2-yl-1-(2-butoxyethyl)-6-ethylpiperazine-2,5-dione
CID 64902153
3-butan-2-yl-1-(3-ethoxypropyl)-6-ethylpiperazine-2,5-dione
CID 64958605
3-butan-2-yl-6-ethyl-1-(2,2,3,3-tetramethylcyclopropyl)piperazine-2,5-dione
CID 79360326
1-butan-2-yl-3-cyclopropyl-6-ethylpiperazine-2,5-dione
CID 64957501
1,3-di(butan-2-yl)-6-cyclopropylpiperazine-2,5-dione
CID 79452090
3-butan-2-yl-6-ethyl-1-phenylpiperazine-2,5-dione
CID 64958754
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
1-(1-ethoxypropan-2-yl)-6-ethyl-3-propylpiperazine-2,5-dione
CID 64967295
5-butan-2-yl-3-(1-methoxypropan-2-yl)-2-thiophen-3-ylimidazolidin-4-one
CID 83239462
(3S,6S)-3,6-bis[(2R)-butan-2-yl]piperazine-2,5-dione
CID 7076241
3-butan-2-yl-6-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,5-dione
CID 103141854

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione (CID 64956689) is 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione is CCC(C)C1NC(=O)C(CC)N(C(C)COC)C1=O.
What is the InChIKey of 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione?
The InChIKey is YBZOOALEOHWXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-6-9(3)12-14(18)16(10(4)8-19-5)11(7-2)13(17)15-12/h9-12H,6-8H2,1-5H3,(H,15,17).
What are the key properties of 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione?
3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione has a molecular weight of 270.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-6-ethyl-1-(1-methoxypropan-2-yl)piperazine-2,5-dione is sourced from PubChem (CID 64956689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).