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

C22H27FN4O3S — CID 55757623

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

1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (PubChem CID 55757623) has the molecular formula C22H27FN4O3S and a molecular weight of 446.55 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
• PubChem CID: 55757623
• Molecular Formula: C22H27FN4O3S
• Molecular Weight: 446.55 g/mol
• Exact Mass: 446.18
• IUPAC Name: 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1nc(CN2CCOCC2)cs1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1
• InChI: InChI=1S/C22H27FN4O3S/c23-18-5-3-16(4-6-18)12-20(28)27-7-1-2-17(13-27)21(29)25-22-24-19(15-31-22)14-26-8-10-30-11-9-26/h3-6,15,17H,1-2,7-14H2,(H,24,25,29)
• InChIKey: JYAFSQNMCIIUAD-UHFFFAOYSA-N
• XLogP: 2.53
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.55
LogP ≤ 5	2.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide (CID 55757623) is 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide.

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

The canonical SMILES for 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is O=C(Nc1nc(CN2CCOCC2)cs1)C1CCCN(C(=O)Cc2ccc(F)cc2)C1.

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

The InChIKey is JYAFSQNMCIIUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN4O3S/c23-18-5-3-16(4-6-18)12-20(28)27-7-1-2-17(13-27)21(29)25-22-24-19(15-31-22)14-26-8-10-30-11-9-26/h3-6,15,17H,1-2,7-14H2,(H,24,25,29).

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

1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-fluorophenyl)acetyl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperidine-3-carboxamide is sourced from PubChem (CID 55757623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).