N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide

C29H29N3O4 — CID 46378839

About N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide

N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide (PubChem CID 46378839) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
• PubChem CID: 46378839
• Molecular Formula: C29H29N3O4
• Molecular Weight: 483.57 g/mol
• Exact Mass: 483.22
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
• SMILES: COc1ccc(CNC(=O)CC2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)cc1
• InChI: InChI=1S/C29H29N3O4/c1-35-24-10-7-21(8-11-24)19-30-27(33)17-20-13-15-32(16-14-20)29(34)23-9-12-25-26(18-23)36-28(31-25)22-5-3-2-4-6-22/h2-12,18,20H,13-17,19H2,1H3,(H,30,33)
• InChIKey: YXIZQKVVXQYHHC-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	483.57
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide (CID 46378839) is N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide.

What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide is COc1ccc(CNC(=O)CC2CCN(C(=O)c3ccc4nc(-c5ccccc5)oc4c3)CC2)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

The InChIKey is YXIZQKVVXQYHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-35-24-10-7-21(8-11-24)19-30-27(33)17-20-13-15-32(16-14-20)29(34)23-9-12-25-26(18-23)36-28(31-25)22-5-3-2-4-6-22/h2-12,18,20H,13-17,19H2,1H3,(H,30,33).

What are the key properties of N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide?

N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide has a molecular weight of 483.57 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 46378839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).