(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one

C12H22N2O4 — CID 59948132

IUPAC(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCCC[C@@H]1C(=O)N(CC(C)=O)CCN1C
InChIInChI=1S/C12H22N2O4/c1-10(15)9-14-7-6-13(2)11(12(14)16)5-4-8-18-17-3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyQOKWPCGBVJYZOB-LLVKDONJSA-N
MW258.32 g/mol
LogP0.08
Rot. Bonds7

About (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one

(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one (PubChem CID 59948132) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one.

Molecular Properties

Compound Name(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
PubChem CID59948132
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCCC[C@@H]1C(=O)N(CC(C)=O)CCN1C
InChIInChI=1S/C12H22N2O4/c1-10(15)9-14-7-6-13(2)11(12(14)16)5-4-8-18-17-3/h11H,4-9H2,1-3H3/t11-/m1/s1
InChIKeyQOKWPCGBVJYZOB-LLVKDONJSA-N
XLogP0.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.08
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The IUPAC name of (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one (CID 59948132) is (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one.
What is the SMILES notation for (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The canonical SMILES for (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one is COOCCC[C@@H]1C(=O)N(CC(C)=O)CCN1C.
What is the InChIKey of (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
The InChIKey is QOKWPCGBVJYZOB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-10(15)9-14-7-6-13(2)11(12(14)16)5-4-8-18-17-3/h11H,4-9H2,1-3H3/t11-/m1/s1.
What are the key properties of (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one?
(3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one has a molecular weight of 258.32 g/mol, XLogP of 0.08, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methyl-3-(3-methylperoxypropyl)-1-(2-oxopropyl)piperazin-2-one is sourced from PubChem (CID 59948132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).