(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one

C10H18N2O4 — CID 59948088

IUPAC(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCC[C@@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C10H18N2O4/c1-8(13)7-12-5-4-11-9(10(12)14)3-6-16-15-2/h9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyUAYNOUFNFNVLLH-VIFPVBQESA-N
MW230.26 g/mol
LogP-0.66
Rot. Bonds6

About (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one

(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one (PubChem CID 59948088) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one.

Molecular Properties

Compound Name(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one
PubChem CID59948088
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one
SMILESCOOCC[C@@H]1NCCN(CC(C)=O)C1=O
InChIInChI=1S/C10H18N2O4/c1-8(13)7-12-5-4-11-9(10(12)14)3-6-16-15-2/h9,11H,3-7H2,1-2H3/t9-/m0/s1
InChIKeyUAYNOUFNFNVLLH-VIFPVBQESA-N
XLogP-0.66
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.66
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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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one?
The IUPAC name of (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one (CID 59948088) is (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one.
What is the SMILES notation for (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one?
The canonical SMILES for (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one is COOCC[C@@H]1NCCN(CC(C)=O)C1=O.
What is the InChIKey of (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one?
The InChIKey is UAYNOUFNFNVLLH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(13)7-12-5-4-11-9(10(12)14)3-6-16-15-2/h9,11H,3-7H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one?
(3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one has a molecular weight of 230.26 g/mol, XLogP of -0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-methylperoxyethyl)-1-(2-oxopropyl)piperazin-2-one is sourced from PubChem (CID 59948088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).