N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide

C29H33N3O2 — CID 110150048

About N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide

N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide (PubChem CID 110150048) has the molecular formula C29H33N3O2 and a molecular weight of 455.60 g/mol. Its IUPAC name is N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide.

Molecular Properties

• Compound Name: N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
• PubChem CID: 110150048
• Molecular Formula: C29H33N3O2
• Molecular Weight: 455.60 g/mol
• Exact Mass: 455.26
• IUPAC Name: N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide
• SMILES: CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1
• InChI: InChI=1S/C29H33N3O2/c1-29(2,31-27(33)21-23-12-7-4-8-13-23)28(34)32-18-16-24(17-19-32)26-15-9-14-25(30-26)20-22-10-5-3-6-11-22/h3-15,24H,16-21H2,1-2H3,(H,31,33)
• InChIKey: DDFJOMCSZFYIQA-UHFFFAOYSA-N
• XLogP: 4.52
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.60
LogP ≤ 5	4.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide?

The IUPAC name of N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide (CID 110150048) is N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide.

What is the SMILES notation for N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide?

The canonical SMILES for N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide is CC(C)(NC(=O)Cc1ccccc1)C(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1.

What is the InChIKey of N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide?

The InChIKey is DDFJOMCSZFYIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O2/c1-29(2,31-27(33)21-23-12-7-4-8-13-23)28(34)32-18-16-24(17-19-32)26-15-9-14-25(30-26)20-22-10-5-3-6-11-22/h3-15,24H,16-21H2,1-2H3,(H,31,33).

What are the key properties of N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide?

N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide has a molecular weight of 455.60 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-(6-benzyl-2-pyridinyl)piperidin-1-yl]-2-methyl-1-oxopropan-2-yl]-2-phenylacetamide is sourced from PubChem (CID 110150048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).