4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one

C12H14N2O3 — CID 117005141

IUPAC4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
SMILESO=C1CN(c2ccc3c(c2)OCCO3)CCN1
InChIInChI=1S/C12H14N2O3/c15-12-8-14(4-3-13-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7H,3-6,8H2,(H,13,15)
InChIKeyZQPIUXKWNZYOEQ-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.39
Rot. Bonds1

About 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one

4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one (PubChem CID 117005141) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
PubChem CID117005141
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one
SMILESO=C1CN(c2ccc3c(c2)OCCO3)CCN1
InChIInChI=1S/C12H14N2O3/c15-12-8-14(4-3-13-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7H,3-6,8H2,(H,13,15)
InChIKeyZQPIUXKWNZYOEQ-UHFFFAOYSA-N
XLogP0.39
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]piperazin-2-one
CID 160505049
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(hydroxymethyl)piperazin-2-one
CID 117026793
4-[3-chloro-4-(methylaminomethyl)phenyl]piperazin-2-one
CID 114064599
4-(4-ethylphenyl)piperazin-2-one
CID 117005105
4-(3-cyclopropyl-4-methylphenyl)piperazin-2-one
CID 155722146
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-diazinan-2-one
CID 115370868
3-hydroxy-6-(3-oxopiperazin-1-yl)-1,3-dihydroindol-2-one
CID 43586643
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-quinoxaline
CID 117006773
2-methyl-4-(3-oxopiperazin-1-yl)benzenecarbothioamide
CID 81278447
4-[4-(furan-2-yl)phenyl]piperazin-2-one
CID 168526951
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylsulfonylpiperazine
CID 110363942
2-amino-N-methyl-4-(3-oxopiperazin-1-yl)benzenesulfonamide
CID 80646358

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one?
The IUPAC name of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one (CID 117005141) is 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one.
What is the SMILES notation for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one?
The canonical SMILES for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one is O=C1CN(c2ccc3c(c2)OCCO3)CCN1.
What is the InChIKey of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one?
The InChIKey is ZQPIUXKWNZYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-12-8-14(4-3-13-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7H,3-6,8H2,(H,13,15).
What are the key properties of 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one?
4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one has a molecular weight of 234.25 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1,4-benzodioxin-6-yl)piperazin-2-one is sourced from PubChem (CID 117005141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).