3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one

C22H24N2O3 — CID 72841230

IUPAC3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-20(16-23-14-15-27-21(23)26)24-13-7-12-22(17-24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyUPACVPXJJYVMNT-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.05
Rot. Bonds4

About 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 72841230) has the molecular formula C22H24N2O3 and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID72841230
Molecular FormulaC22H24N2O3
Molecular Weight364.45 g/mol
Exact Mass364.18
IUPAC Name3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESO=C(CN1CCOC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C22H24N2O3/c25-20(16-23-14-15-27-21(23)26)24-13-7-12-22(17-24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2
InChIKeyUPACVPXJJYVMNT-UHFFFAOYSA-N
XLogP3.05
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one (CID 72841230) is 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one is O=C(CN1CCOC1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is UPACVPXJJYVMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O3/c25-20(16-23-14-15-27-21(23)26)24-13-7-12-22(17-24,18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11H,7,12-17H2.
What are the key properties of 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 364.45 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72841230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).