1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

C23H24FN3O2S2 — CID 20974853

About 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide

1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (PubChem CID 20974853) has the molecular formula C23H24FN3O2S2 and a molecular weight of 457.60 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
• PubChem CID: 20974853
• Molecular Formula: C23H24FN3O2S2
• Molecular Weight: 457.60 g/mol
• Exact Mass: 457.13
• IUPAC Name: 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide
• SMILES: O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1
• InChI: InChI=1S/C23H24FN3O2S2/c24-18-5-3-16(4-6-18)14-21(28)27-11-8-17(9-12-27)22(29)25-10-7-19-15-31-23(26-19)20-2-1-13-30-20/h1-6,13,15,17H,7-12,14H2,(H,25,29)
• InChIKey: LSSSSDLANXTUSV-UHFFFAOYSA-N
• XLogP: 4.15
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.60
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?

The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide (CID 20974853) is 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?

The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1csc(-c2cccs2)n1)C1CCN(C(=O)Cc2ccc(F)cc2)CC1.

What is the InChIKey of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?

The InChIKey is LSSSSDLANXTUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S2/c24-18-5-3-16(4-6-18)14-21(28)27-11-8-17(9-12-27)22(29)25-10-7-19-15-31-23(26-19)20-2-1-13-30-20/h1-6,13,15,17H,7-12,14H2,(H,25,29).

What are the key properties of 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide?

1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 457.60 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-fluorophenyl)acetyl]-N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 20974853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).