3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

C10H18N2O3 — CID 64880984

IUPAC3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCC(C)OCCN1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H18N2O3/c1-7(2)15-5-4-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyGEURKUUDRBBOEX-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.24
Rot. Bonds4

About 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione

3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (PubChem CID 64880984) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
PubChem CID64880984
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione
SMILESCC(C)OCCN1CC(=O)NC(C)C1=O
InChIInChI=1S/C10H18N2O3/c1-7(2)15-5-4-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13)
InChIKeyGEURKUUDRBBOEX-UHFFFAOYSA-N
XLogP-0.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methoxyethoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64880925
3-bromo-1-(2-propan-2-yloxyethyl)pyrrolidin-2-one
CID 104766118
1-[2-(4-bromophenoxy)ethyl]-3-methylpiperazine-2,5-dione
CID 64878616
3-methyl-1-(2-methylbutyl)piperazine-2,5-dione
CID 64881374
1-(2-cyclopentylethyl)-3-methylpiperazine-2,5-dione
CID 64964119
3-butan-2-yl-1-(2-methoxyethyl)piperazine-2,5-dione
CID 64881503
(3S)-3-methyl-1-propan-2-ylpiperazine-2,5-dione
CID 164760236
1-(2-cyclohexyloxyethyl)-3-(2-methylpropyl)piperazine-2,5-dione
CID 64971621
1-[2-(3-methoxypropoxy)ethyl]-3-propan-2-ylpiperazine-2,5-dione
CID 103184685
6-(2-propan-2-yloxyethyl)-2,3,4,4a,7,7a-hexahydro-1H-pyrrolo[3,4-b]pyridin-5-one
CID 103195974
3-(2-methylpropyl)-1-(2-phenoxyethyl)piperazine-2,5-dione
CID 64878643
1-[2-(furan-2-yl)ethyl]-3-methylpiperazine-2,5-dione
CID 64964752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The IUPAC name of 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione (CID 64880984) is 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione.
What is the SMILES notation for 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The canonical SMILES for 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is CC(C)OCCN1CC(=O)NC(C)C1=O.
What is the InChIKey of 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
The InChIKey is GEURKUUDRBBOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-7(2)15-5-4-12-6-9(13)11-8(3)10(12)14/h7-8H,4-6H2,1-3H3,(H,11,13).
What are the key properties of 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione?
3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione has a molecular weight of 214.26 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-yloxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 64880984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).