2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine

C16H24N2O4 — CID 90272502

IUPAC2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine
SMILESC1CCNCC1.O=C1NCCO1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.C5H11N.C3H5NO2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-4H,5-6H2;6H,1-5H2;1-2H2,(H,4,5)
InChIKeyXNVJHLVZOFUSQE-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.94
Rot. Bonds

About 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine

2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine (PubChem CID 90272502) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine
PubChem CID90272502
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine
SMILESC1CCNCC1.O=C1NCCO1.c1ccc2c(c1)OCCO2
InChIInChI=1S/C8H8O2.C5H11N.C3H5NO2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-4H,5-6H2;6H,1-5H2;1-2H2,(H,4,5)
InChIKeyXNVJHLVZOFUSQE-UHFFFAOYSA-N
XLogP1.94
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine?
The IUPAC name of 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine (CID 90272502) is 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine is C1CCNCC1.O=C1NCCO1.c1ccc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine?
The InChIKey is XNVJHLVZOFUSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C5H11N.C3H5NO2/c1-2-4-8-7(3-1)9-5-6-10-8;1-2-4-6-5-3-1;5-3-4-1-2-6-3/h1-4H,5-6H2;6H,1-5H2;1-2H2,(H,4,5).
What are the key properties of 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine?
2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine has a molecular weight of 308.38 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxine;1,3-oxazolidin-2-one;piperidine is sourced from PubChem (CID 90272502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).