2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid

C31H33FN4O5 — CID 22038162

About 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid (PubChem CID 22038162) has the molecular formula C31H33FN4O5 and a molecular weight of 560.63 g/mol. Its IUPAC name is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid.

Molecular Properties

• Compound Name: 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
• PubChem CID: 22038162
• Molecular Formula: C31H33FN4O5
• Molecular Weight: 560.63 g/mol
• Exact Mass: 560.24
• IUPAC Name: 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid
• SMILES: O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1.O=C(O)C(=O)O
• InChI: InChI=1S/C29H31FN4O.C2H2O4/c30-25-8-5-22(6-9-25)10-15-33-16-12-27(13-17-33)34-18-11-24-7-4-23(19-28(24)34)20-29(35)32-21-26-3-1-2-14-31-26;3-1(4)2(5)6/h1-9,11,14,18-19,27H,10,12-13,15-17,20-21H2,(H,32,35);(H,3,4)(H,5,6)
• InChIKey: WSXCZXXQJOYJMT-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 124.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.63
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?

The IUPAC name of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid (CID 22038162) is 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid.

What is the SMILES notation for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?

The canonical SMILES for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid is O=C(Cc1ccc2ccn(C3CCN(CCc4ccc(F)cc4)CC3)c2c1)NCc1ccccn1.O=C(O)C(=O)O.

What is the InChIKey of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?

The InChIKey is WSXCZXXQJOYJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O.C2H2O4/c30-25-8-5-22(6-9-25)10-15-33-16-12-27(13-17-33)34-18-11-24-7-4-23(19-28(24)34)20-29(35)32-21-26-3-1-2-14-31-26;3-1(4)2(5)6/h1-9,11,14,18-19,27H,10,12-13,15-17,20-21H2,(H,32,35);(H,3,4)(H,5,6).

What are the key properties of 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid?

2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid has a molecular weight of 560.63 g/mol, XLogP of 4.07, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]indol-6-yl]-N-(pyridin-2-ylmethyl)acetamide;oxalic acid is sourced from PubChem (CID 22038162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).