N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide

C21H26FN3O2S — CID 25452182

About N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide

N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 25452182) has the molecular formula C21H26FN3O2S and a molecular weight of 403.52 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
• PubChem CID: 25452182
• Molecular Formula: C21H26FN3O2S
• Molecular Weight: 403.52 g/mol
• Exact Mass: 403.17
• IUPAC Name: N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide
• SMILES: Cc1nc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cs1
• InChI: InChI=1S/C21H26FN3O2S/c1-15-24-18(14-28-15)11-21(27)25-10-4-5-16(13-25)8-9-20(26)23-12-17-6-2-3-7-19(17)22/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,23,26)/t16-/m0/s1
• InChIKey: KTHGLYVBQFASDO-INIZCTEOSA-N
• XLogP: 3.47
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.52
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide?

The IUPAC name of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide (CID 25452182) is N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide is Cc1nc(CC(=O)N2CCC[C@@H](CCC(=O)NCc3ccccc3F)C2)cs1.

What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide?

The InChIKey is KTHGLYVBQFASDO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H26FN3O2S/c1-15-24-18(14-28-15)11-21(27)25-10-4-5-16(13-25)8-9-20(26)23-12-17-6-2-3-7-19(17)22/h2-3,6-7,14,16H,4-5,8-13H2,1H3,(H,23,26)/t16-/m0/s1.

What are the key properties of N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide?

N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 403.52 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-fluorophenyl)methyl]-3-[(3S)-1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 25452182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).