3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide

C21H25N3O3S — CID 131915591

About 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide

3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide (PubChem CID 131915591) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
• PubChem CID: 131915591
• Molecular Formula: C21H25N3O3S
• Molecular Weight: 399.52 g/mol
• Exact Mass: 399.16
• IUPAC Name: 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide
• SMILES: Cc1ccc2oc(=O)n(CCC(=O)NC3CCCN(Cc4cccs4)C3)c2c1
• InChI: InChI=1S/C21H25N3O3S/c1-15-6-7-19-18(12-15)24(21(26)27-19)10-8-20(25)22-16-4-2-9-23(13-16)14-17-5-3-11-28-17/h3,5-7,11-12,16H,2,4,8-10,13-14H2,1H3,(H,22,25)
• InChIKey: XXUMYFOWAJFWFY-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.52
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide?

The IUPAC name of 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide (CID 131915591) is 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide.

What is the SMILES notation for 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide?

The canonical SMILES for 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide is Cc1ccc2oc(=O)n(CCC(=O)NC3CCCN(Cc4cccs4)C3)c2c1.

What is the InChIKey of 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide?

The InChIKey is XXUMYFOWAJFWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-15-6-7-19-18(12-15)24(21(26)27-19)10-8-20(25)22-16-4-2-9-23(13-16)14-17-5-3-11-28-17/h3,5-7,11-12,16H,2,4,8-10,13-14H2,1H3,(H,22,25).

What are the key properties of 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide?

3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide has a molecular weight of 399.52 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-methyl-2-oxo-1,3-benzoxazol-3-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 131915591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).