(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

C20H21NO5S — CID 18085272

About (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate

(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate (PubChem CID 18085272) has the molecular formula C20H21NO5S and a molecular weight of 387.46 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate.

Molecular Properties

• Compound Name: (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
• PubChem CID: 18085272
• Molecular Formula: C20H21NO5S
• Molecular Weight: 387.46 g/mol
• Exact Mass: 387.11
• IUPAC Name: (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate
• SMILES: O=C(OCC(=O)N1CCCCC1)c1ccc(-c2ccc3c(c2)OCCO3)s1
• InChI: InChI=1S/C20H21NO5S/c22-19(21-8-2-1-3-9-21)13-26-20(23)18-7-6-17(27-18)14-4-5-15-16(12-14)25-11-10-24-15/h4-7,12H,1-3,8-11,13H2
• InChIKey: MYPMJZCEBFDJSV-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 65.07 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.46
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate (CID 18085272) is (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate.

What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate is O=C(OCC(=O)N1CCCCC1)c1ccc(-c2ccc3c(c2)OCCO3)s1.

What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

The InChIKey is MYPMJZCEBFDJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5S/c22-19(21-8-2-1-3-9-21)13-26-20(23)18-7-6-17(27-18)14-4-5-15-16(12-14)25-11-10-24-15/h4-7,12H,1-3,8-11,13H2.

What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate?

(2-oxo-2-piperidin-1-ylethyl) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate has a molecular weight of 387.46 g/mol, XLogP of 3.36, 4 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) 5-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-carboxylate is sourced from PubChem (CID 18085272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).