3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione

C11H20N2O3 — CID 64881503

IUPAC3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCOC)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-8(2)10-11(15)13(5-6-16-3)7-9(14)12-10/h8,10H,4-7H2,1-3H3,(H,12,14)
InChIKeyJKLAJFQQNSFDEV-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.01
Rot. Bonds5

About 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione

3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione (PubChem CID 64881503) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
PubChem CID64881503
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
SMILESCCC(C)C1NC(=O)CN(CCOC)C1=O
InChIInChI=1S/C11H20N2O3/c1-4-8(2)10-11(15)13(5-6-16-3)7-9(14)12-10/h8,10H,4-7H2,1-3H3,(H,12,14)
InChIKeyJKLAJFQQNSFDEV-UHFFFAOYSA-N
XLogP0.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-1-(2-fluoroethyl)piperazine-2,5-dione
CID 80697451
3-butan-2-yl-1-pentylpiperazine-2,5-dione
CID 64881502
3-butan-2-yl-1-methylpiperazine-2,5-dione
CID 64880533
3-butan-2-yl-1-but-3-ynylpiperazine-2,5-dione
CID 64972451
3-butan-2-yl-1-[3-(2,2,2-trifluoroethoxy)propyl]piperazine-2,5-dione
CID 64881308
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
3-butan-2-yl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperazine-2,5-dione
CID 114516865
3-butan-2-yl-1-[2-(3-methylbutoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64882558
3-butan-2-yl-1-[(1-methylpyrazol-4-yl)methyl]piperazine-2,5-dione
CID 64878609
3-butan-2-yl-1-[2-(2,2,2-trifluoroethoxy)ethyl]-1,4-diazepane-2,5-dione
CID 64884117
3-butan-2-yl-1-[2-(1,3-thiazol-2-yl)ethyl]piperazine-2,5-dione
CID 64970385
1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione (CID 64881503) is 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione is CCC(C)C1NC(=O)CN(CCOC)C1=O.
What is the InChIKey of 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione?
The InChIKey is JKLAJFQQNSFDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-4-8(2)10-11(15)13(5-6-16-3)7-9(14)12-10/h8,10H,4-7H2,1-3H3,(H,12,14).
What are the key properties of 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione?
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione has a molecular weight of 228.29 g/mol, XLogP of 0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64881503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).