1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide

C23H29N3O2S — CID 30523873

About 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide

1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide (PubChem CID 30523873) has the molecular formula C23H29N3O2S and a molecular weight of 411.57 g/mol. Its IUPAC name is 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide.

Molecular Properties

• Compound Name: 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
• PubChem CID: 30523873
• Molecular Formula: C23H29N3O2S
• Molecular Weight: 411.57 g/mol
• Exact Mass: 411.20
• IUPAC Name: 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide
• SMILES: CC(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)ccc21
• InChI: InChI=1S/C23H29N3O2S/c1-16-7-10-25(11-8-16)21(22-4-3-13-29-22)15-24-23(28)19-5-6-20-18(14-19)9-12-26(20)17(2)27/h3-6,13-14,16,21H,7-12,15H2,1-2H3,(H,24,28)/t21-/m1/s1
• InChIKey: BWGZQOYJRJKAIE-OAQYLSRUSA-N
• XLogP: 3.86
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.57
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?

The IUPAC name of 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide (CID 30523873) is 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide.

What is the SMILES notation for 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?

The canonical SMILES for 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide is CC(=O)N1CCc2cc(C(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)ccc21.

What is the InChIKey of 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?

The InChIKey is BWGZQOYJRJKAIE-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29N3O2S/c1-16-7-10-25(11-8-16)21(22-4-3-13-29-22)15-24-23(28)19-5-6-20-18(14-19)9-12-26(20)17(2)27/h3-6,13-14,16,21H,7-12,15H2,1-2H3,(H,24,28)/t21-/m1/s1.

What are the key properties of 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide?

1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide has a molecular weight of 411.57 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-acetyl-N-[(2R)-2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-2,3-dihydroindole-5-carboxamide is sourced from PubChem (CID 30523873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).