1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one

C13H15NO3 — CID 70868148

IUPAC1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one
SMILESO=C1CCN(C2OC(c3ccccc3)O2)CC1
InChIInChI=1S/C13H15NO3/c15-11-6-8-14(9-7-11)13-16-12(17-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyCIXRRBBOFMHPCI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.68
Rot. Bonds2

About 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one

1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one (PubChem CID 70868148) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one
PubChem CID70868148
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one
SMILESO=C1CCN(C2OC(c3ccccc3)O2)CC1
InChIInChI=1S/C13H15NO3/c15-11-6-8-14(9-7-11)13-16-12(17-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2
InChIKeyCIXRRBBOFMHPCI-UHFFFAOYSA-N
XLogP1.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one?
The IUPAC name of 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one (CID 70868148) is 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one.
What is the SMILES notation for 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one?
The canonical SMILES for 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one is O=C1CCN(C2OC(c3ccccc3)O2)CC1.
What is the InChIKey of 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one?
The InChIKey is CIXRRBBOFMHPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-11-6-8-14(9-7-11)13-16-12(17-13)10-4-2-1-3-5-10/h1-5,12-13H,6-9H2.
What are the key properties of 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one?
1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-1,3-dioxetan-2-yl)piperidin-4-one is sourced from PubChem (CID 70868148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).