3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C22H29N3O4S — CID 37018852

About 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 37018852) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

• Compound Name: 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
• PubChem CID: 37018852
• Molecular Formula: C22H29N3O4S
• Molecular Weight: 431.56 g/mol
• Exact Mass: 431.19
• IUPAC Name: 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
• SMILES: CCOc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1OCC(=O)N1CCCCC1
• InChI: InChI=1S/C22H29N3O4S/c1-4-28-19-12-16(21(27)24-22-23-17(14-30-22)15(2)3)8-9-18(19)29-13-20(26)25-10-6-5-7-11-25/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H,23,24,27)
• InChIKey: WORVTJKHMUCKAD-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.56
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The IUPAC name of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 37018852) is 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

What is the SMILES notation for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The canonical SMILES for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is CCOc1cc(C(=O)Nc2nc(C(C)C)cs2)ccc1OCC(=O)N1CCCCC1.

What is the InChIKey of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

The InChIKey is WORVTJKHMUCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-4-28-19-12-16(21(27)24-22-23-17(14-30-22)15(2)3)8-9-18(19)29-13-20(26)25-10-6-5-7-11-25/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3,(H,23,24,27).

What are the key properties of 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?

3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 37018852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).