1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide

C23H25FN2O4S — CID 45205713

About 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide

1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 45205713) has the molecular formula C23H25FN2O4S and a molecular weight of 444.53 g/mol. Its IUPAC name is 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 45205713
• Molecular Formula: C23H25FN2O4S
• Molecular Weight: 444.53 g/mol
• Exact Mass: 444.15
• IUPAC Name: 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide
• SMILES: CC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)C2CCN(C(C)=O)CC2)C3)s1
• InChI: InChI=1S/C23H25FN2O4S/c1-13(27)20-3-4-21(31-20)19-11-17(24)9-16-10-18(30-22(16)19)12-25-23(29)15-5-7-26(8-6-15)14(2)28/h3-4,9,11,15,18H,5-8,10,12H2,1-2H3,(H,25,29)
• InChIKey: MRAUKTNJJIDCBK-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 75.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide (CID 45205713) is 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide is CC(=O)c1ccc(-c2cc(F)cc3c2OC(CNC(=O)C2CCN(C(C)=O)CC2)C3)s1.

What is the InChIKey of 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?

The InChIKey is MRAUKTNJJIDCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O4S/c1-13(27)20-3-4-21(31-20)19-11-17(24)9-16-10-18(30-22(16)19)12-25-23(29)15-5-7-26(8-6-15)14(2)28/h3-4,9,11,15,18H,5-8,10,12H2,1-2H3,(H,25,29).

What are the key properties of 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide?

1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 444.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[[7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 45205713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).