N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C25H28FN3O3 — CID 40777425

About N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 40777425) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• PubChem CID: 40777425
• Molecular Formula: C25H28FN3O3
• Molecular Weight: 437.52 g/mol
• Exact Mass: 437.21
• IUPAC Name: N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• SMILES: COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3ccc(F)cc3)no2)cc1
• InChI: InChI=1S/C25H28FN3O3/c1-31-23-8-4-18(5-9-23)24-14-22(29-32-24)12-20-16-27-11-10-19(20)13-25(30)28-15-17-2-6-21(26)7-3-17/h2-9,14,19-20,27H,10-13,15-16H2,1H3,(H,28,30)/t19-,20-/m0/s1
• InChIKey: FXYPLLLCNHKNOY-PMACEKPBSA-N
• XLogP: 3.96
• TPSA: 76.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.52
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 40777425) is N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3ccc(F)cc3)no2)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

The InChIKey is FXYPLLLCNHKNOY-PMACEKPBSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-23-8-4-18(5-9-23)24-14-22(29-32-24)12-20-16-27-11-10-19(20)13-25(30)28-15-17-2-6-21(26)7-3-17/h2-9,14,19-20,27H,10-13,15-16H2,1H3,(H,28,30)/t19-,20-/m0/s1.

What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide?

N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 437.52 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-2-[(3R,4S)-3-[[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 40777425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).