2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one

C20H21NO3 — CID 46907276

IUPAC2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one
SMILESO=C1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H21NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18-19,21H,11-14H2
InChIKeyCDXSSMFKKLDFOV-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.62
Rot. Bonds3

About 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one

2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one (PubChem CID 46907276) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one.

Molecular Properties

Compound Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one
PubChem CID46907276
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one
SMILESO=C1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1
InChIInChI=1S/C20H21NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18-19,21H,11-14H2
InChIKeyCDXSSMFKKLDFOV-UHFFFAOYSA-N
XLogP2.62
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one?
The IUPAC name of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one (CID 46907276) is 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one.
What is the SMILES notation for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one?
The canonical SMILES for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one is O=C1CCNC(C2COC(c3ccccc3)(c3ccccc3)O2)C1.
What is the InChIKey of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one?
The InChIKey is CDXSSMFKKLDFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c22-17-11-12-21-18(13-17)19-14-23-20(24-19,15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,18-19,21H,11-14H2.
What are the key properties of 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one?
2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one has a molecular weight of 323.39 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-4-one is sourced from PubChem (CID 46907276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).