3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

C23H28N2O2S — CID 45214233

About 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide

3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (PubChem CID 45214233) has the molecular formula C23H28N2O2S and a molecular weight of 396.56 g/mol. Its IUPAC name is 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

Molecular Properties

• Compound Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• PubChem CID: 45214233
• Molecular Formula: C23H28N2O2S
• Molecular Weight: 396.56 g/mol
• Exact Mass: 396.19
• IUPAC Name: 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
• SMILES: Cc1ccc(CNC(=O)CCC2CCCN(Cc3cc4ccccc4s3)C2)o1
• InChI: InChI=1S/C23H28N2O2S/c1-17-8-10-20(27-17)14-24-23(26)11-9-18-5-4-12-25(15-18)16-21-13-19-6-2-3-7-22(19)28-21/h2-3,6-8,10,13,18H,4-5,9,11-12,14-16H2,1H3,(H,24,26)
• InChIKey: LQQLOTNMGYUJEG-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 45.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	396.56
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The IUPAC name of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide (CID 45214233) is 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide.

What is the SMILES notation for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The canonical SMILES for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is Cc1ccc(CNC(=O)CCC2CCCN(Cc3cc4ccccc4s3)C2)o1.

What is the InChIKey of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

The InChIKey is LQQLOTNMGYUJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2S/c1-17-8-10-20(27-17)14-24-23(26)11-9-18-5-4-12-25(15-18)16-21-13-19-6-2-3-7-22(19)28-21/h2-3,6-8,10,13,18H,4-5,9,11-12,14-16H2,1H3,(H,24,26).

What are the key properties of 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide?

3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide has a molecular weight of 396.56 g/mol, XLogP of 5.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(1-benzothiophen-2-ylmethyl)piperidin-3-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide is sourced from PubChem (CID 45214233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).