(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one

C11H20N2O4 — CID 59948121

IUPAC(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCCC[C@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C11H20N2O4/c1-9(14)8-13-6-5-12-10(11(13)15)4-3-7-17-16-2/h10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyQCFZCANCUFEDTF-SNVBAGLBSA-N
MW244.29 g/mol
LogP-0.27
Rot. Bonds7

About (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one

(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one (PubChem CID 59948121) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
PubChem CID59948121
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCCC[C@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C11H20N2O4/c1-9(14)8-13-6-5-12-10(11(13)15)4-3-7-17-16-2/h10,12H,3-8H2,1-2H3/t10-/m1/s1
InChIKeyQCFZCANCUFEDTF-SNVBAGLBSA-N
XLogP-0.27
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one
CID 59948088
methyl 3-[(2R)-3-oxo-4-(2-oxopropyl)piperazin-2-yl]propanoate
CID 59948099
(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
CID 59948132
tert-butyl 2-[(3R)-3-(3-methylperoxypropyl)-2-oxopiperazin-1-yl]acetate
CID 145777300
1,3-Bis(3-methoxypropyl)piperazine-2,5-dione
CID 174909939
N-[(1-ethylpiperidin-2-yl)methyl]-5-methoxypentanamide
CID 60293930
6-Ethyl-1-(4-methoxybutyl)-3-propylpiperazine-2,5-dione
CID 64967355
1-(4-Methoxybutyl)-6-methyl-3-propylpiperazine-2,5-dione
CID 64967414
1-(4-Methoxybutyl)-3-propylpiperazine-2,5-dione
CID 64967433
5-hydroxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)pentanamide
CID 79198879
5-hydroxy-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pentanamide
CID 79199132
4-(5-Hydroxypentanoyl)-3-methylpiperazin-2-one
CID 79199644

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The IUPAC name of (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one (CID 59948121) is (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one.
What is the SMILES notation for (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The canonical SMILES for (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one is COOCCC[C@H]1NCCN(CC(C)=O)C1=O.
What is the InChIKey of (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The InChIKey is QCFZCANCUFEDTF-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-9(14)8-13-6-5-12-10(11(13)15)4-3-7-17-16-2/h10,12H,3-8H2,1-2H3/t10-/m1/s1.
What are the key properties of (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
(3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one has a molecular weight of 244.29 g/mol, XLogP of -0.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one is sourced from PubChem (CID 59948121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).