(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate

C21H23NO4 — CID 2675456

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23NO4/c23-19(22-14-8-3-9-15-22)16-26-20(24)21(25,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,25H,3,8-9,14-16H2
InChIKeyYFSPECYFPAKONB-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.48
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate

(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate (PubChem CID 2675456) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate
PubChem CID2675456
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate
SMILESO=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCCC1
InChIInChI=1S/C21H23NO4/c23-19(22-14-8-3-9-15-22)16-26-20(24)21(25,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,25H,3,8-9,14-16H2
InChIKeyYFSPECYFPAKONB-UHFFFAOYSA-N
XLogP2.48
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate (CID 2675456) is (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate is O=C(COC(=O)C(O)(c1ccccc1)c1ccccc1)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate?
The InChIKey is YFSPECYFPAKONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO4/c23-19(22-14-8-3-9-15-22)16-26-20(24)21(25,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-2,4-7,10-13,25H,3,8-9,14-16H2.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate?
(2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate has a molecular weight of 353.42 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 2675456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).