(6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

C29H29N3O3 — CID 132779856

About (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone

(6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (PubChem CID 132779856) has the molecular formula C29H29N3O3 and a molecular weight of 467.57 g/mol. Its IUPAC name is (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• PubChem CID: 132779856
• Molecular Formula: C29H29N3O3
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.22
• IUPAC Name: (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone
• SMILES: COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3ccc(Cc4ccccc4)nc3)o2)c1
• InChI: InChI=1S/C29H29N3O3/c1-34-25-11-7-10-22(17-25)18-26-20-31-28(35-26)27-12-5-6-15-32(27)29(33)23-13-14-24(30-19-23)16-21-8-3-2-4-9-21/h2-4,7-11,13-14,17,19-20,27H,5-6,12,15-16,18H2,1H3
• InChIKey: WHUMSWZXXIURFD-UHFFFAOYSA-N
• XLogP: 5.63
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The IUPAC name of (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone (CID 132779856) is (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The canonical SMILES for (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is COc1cccc(Cc2cnc(C3CCCCN3C(=O)c3ccc(Cc4ccccc4)nc3)o2)c1.

What is the InChIKey of (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

The InChIKey is WHUMSWZXXIURFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O3/c1-34-25-11-7-10-22(17-25)18-26-20-31-28(35-26)27-12-5-6-15-32(27)29(33)23-13-14-24(30-19-23)16-21-8-3-2-4-9-21/h2-4,7-11,13-14,17,19-20,27H,5-6,12,15-16,18H2,1H3.

What are the key properties of (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone?

(6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 467.57 g/mol, XLogP of 5.63, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6-benzyl-3-pyridinyl)-[2-[5-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 132779856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).