N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

C22H29FN4O2S — CID 45173449

About N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (PubChem CID 45173449) has the molecular formula C22H29FN4O2S and a molecular weight of 432.57 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 45173449
• Molecular Formula: C22H29FN4O2S
• Molecular Weight: 432.57 g/mol
• Exact Mass: 432.20
• IUPAC Name: N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
• SMILES: O=C(CCC1CCCN(Cc2cnc(N3CCOCC3)s2)C1)Nc1ccccc1F
• InChI: InChI=1S/C22H29FN4O2S/c23-19-5-1-2-6-20(19)25-21(28)8-7-17-4-3-9-26(15-17)16-18-14-24-22(30-18)27-10-12-29-13-11-27/h1-2,5-6,14,17H,3-4,7-13,15-16H2,(H,25,28)
• InChIKey: FVGCWRDIYGIUMS-UHFFFAOYSA-N
• XLogP: 3.75
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.57
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide (CID 45173449) is N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is O=C(CCC1CCCN(Cc2cnc(N3CCOCC3)s2)C1)Nc1ccccc1F.

What is the InChIKey of N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?

The InChIKey is FVGCWRDIYGIUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29FN4O2S/c23-19-5-1-2-6-20(19)25-21(28)8-7-17-4-3-9-26(15-17)16-18-14-24-22(30-18)27-10-12-29-13-11-27/h1-2,5-6,14,17H,3-4,7-13,15-16H2,(H,25,28).

What are the key properties of N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide?

N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide has a molecular weight of 432.57 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45173449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).