N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

C27H34N4O2 — CID 162978112

About N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide

N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (PubChem CID 162978112) has the molecular formula C27H34N4O2 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• PubChem CID: 162978112
• Molecular Formula: C27H34N4O2
• Molecular Weight: 446.60 g/mol
• Exact Mass: 446.27
• IUPAC Name: N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide
• SMILES: CN(Cc1ccccc1)Cc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1
• InChI: InChI=1S/C27H34N4O2/c1-31(19-22-10-6-3-7-11-22)20-26-16-25(30-33-26)14-24-18-28-13-12-23(24)15-27(32)29-17-21-8-4-2-5-9-21/h2-11,16,23-24,28H,12-15,17-20H2,1H3,(H,29,32)/t23-,24+/m0/s1
• InChIKey: YLBCCTGZAUWTCI-BJKOFHAPSA-N
• XLogP: 3.78
• TPSA: 70.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.60
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide (CID 162978112) is N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide.

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

The canonical SMILES for N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is CN(Cc1ccccc1)Cc1cc(C[C@@H]2CNCC[C@H]2CC(=O)NCc2ccccc2)no1.

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

The InChIKey is YLBCCTGZAUWTCI-BJKOFHAPSA-N. The full InChI is InChI=1S/C27H34N4O2/c1-31(19-22-10-6-3-7-11-22)20-26-16-25(30-33-26)14-24-18-28-13-12-23(24)15-27(32)29-17-21-8-4-2-5-9-21/h2-11,16,23-24,28H,12-15,17-20H2,1H3,(H,29,32)/t23-,24+/m0/s1.

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

N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide has a molecular weight of 446.60 g/mol, XLogP of 3.78, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-benzyl-2-[(3S,4S)-3-[[5-[[benzyl(methyl)amino]methyl]-1,2-oxazol-3-yl]methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 162978112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).