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

C20H27FN4OS — CID 42307306

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

3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 42307306) has the molecular formula C20H27FN4OS and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

• Compound Name: 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• PubChem CID: 42307306
• Molecular Formula: C20H27FN4OS
• Molecular Weight: 390.53 g/mol
• Exact Mass: 390.19
• IUPAC Name: 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
• SMILES: CN(C)c1ncc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)s1
• InChI: InChI=1S/C20H27FN4OS/c1-24(2)20-22-12-16(27-20)14-25-11-5-6-15(13-25)9-10-19(26)23-18-8-4-3-7-17(18)21/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1
• InChIKey: BLAOMPKAVJOEBE-OAHLLOKOSA-N
• XLogP: 3.98
• TPSA: 48.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.53
LogP ≤ 5	3.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 42307306) is 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

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

The canonical SMILES for 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is CN(C)c1ncc(CN2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)s1.

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

The InChIKey is BLAOMPKAVJOEBE-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H27FN4OS/c1-24(2)20-22-12-16(27-20)14-25-11-5-6-15(13-25)9-10-19(26)23-18-8-4-3-7-17(18)21/h3-4,7-8,12,15H,5-6,9-11,13-14H2,1-2H3,(H,23,26)/t15-/m1/s1.

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

3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 390.53 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42307306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).