(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C18H21NO5 — CID 7270402

IUPAC(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N3CCCCC3)c(C)c2c1
InChIInChI=1S/C18H21NO5/c1-12-14-10-13(22-2)6-7-15(14)24-17(12)18(21)23-11-16(20)19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyXEZMZNIJCZYOJU-UHFFFAOYSA-N
MW331.37 g/mol
LogP2.92
Rot. Bonds4

About (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7270402) has the molecular formula C18H21NO5 and a molecular weight of 331.37 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
PubChem CID7270402
Molecular FormulaC18H21NO5
Molecular Weight331.37 g/mol
Exact Mass331.14
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
SMILESCOc1ccc2oc(C(=O)OCC(=O)N3CCCCC3)c(C)c2c1
InChIInChI=1S/C18H21NO5/c1-12-14-10-13(22-2)6-7-15(14)24-17(12)18(21)23-11-16(20)19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3
InChIKeyXEZMZNIJCZYOJU-UHFFFAOYSA-N
XLogP2.92
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7270402) is (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)N3CCCCC3)c(C)c2c1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
The InChIKey is XEZMZNIJCZYOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5/c1-12-14-10-13(22-2)6-7-15(14)24-17(12)18(21)23-11-16(20)19-8-4-3-5-9-19/h6-7,10H,3-5,8-9,11H2,1-2H3.
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?
(2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 331.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7270402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).