(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate

C18H25NO6 — CID 2361827

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-22-14-9-13(10-15(23-2)18(14)24-3)11-17(21)25-12-16(20)19-7-5-4-6-8-19/h9-10H,4-8,11-12H2,1-3H3
InChIKeyFXDAKMGTNDEHHC-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.81
Rot. Bonds7

About (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate

(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate (PubChem CID 2361827) has the molecular formula C18H25NO6 and a molecular weight of 351.40 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate
PubChem CID2361827
Molecular FormulaC18H25NO6
Molecular Weight351.40 g/mol
Exact Mass351.17
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate
SMILESCOc1cc(CC(=O)OCC(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H25NO6/c1-22-14-9-13(10-15(23-2)18(14)24-3)11-17(21)25-12-16(20)19-7-5-4-6-8-19/h9-10H,4-8,11-12H2,1-3H3
InChIKeyFXDAKMGTNDEHHC-UHFFFAOYSA-N
XLogP1.81
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate (CID 2361827) is (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate is COc1cc(CC(=O)OCC(=O)N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate?
The InChIKey is FXDAKMGTNDEHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO6/c1-22-14-9-13(10-15(23-2)18(14)24-3)11-17(21)25-12-16(20)19-7-5-4-6-8-19/h9-10H,4-8,11-12H2,1-3H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate has a molecular weight of 351.40 g/mol, XLogP of 1.81, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-(3,4,5-trimethoxyphenyl)acetate is sourced from PubChem (CID 2361827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).