2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

C25H28N4O2 — CID 95809893

About 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide

2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (PubChem CID 95809893) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.

Molecular Properties

• Compound Name: 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
• PubChem CID: 95809893
• Molecular Formula: C25H28N4O2
• Molecular Weight: 416.53 g/mol
• Exact Mass: 416.22
• IUPAC Name: 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide
• SMILES: COc1cccc(Cc2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)c1
• InChI: InChI=1S/C25H28N4O2/c1-31-22-10-4-7-19(16-22)15-21-9-5-11-23(27-21)20-8-6-14-29(17-20)18-25(30)28-24-12-2-3-13-26-24/h2-5,7,9-13,16,20H,6,8,14-15,17-18H2,1H3,(H,26,28,30)/t20-/m0/s1
• InChIKey: WVQQMQOQRAMNIW-FQEVSTJZSA-N
• XLogP: 3.89
• TPSA: 67.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.53
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?

The IUPAC name of 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide (CID 95809893) is 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide.

What is the SMILES notation for 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?

The canonical SMILES for 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is COc1cccc(Cc2cccc([C@H]3CCCN(CC(=O)Nc4ccccn4)C3)n2)c1.

What is the InChIKey of 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?

The InChIKey is WVQQMQOQRAMNIW-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-31-22-10-4-7-19(16-22)15-21-9-5-11-23(27-21)20-8-6-14-29(17-20)18-25(30)28-24-12-2-3-13-26-24/h2-5,7,9-13,16,20H,6,8,14-15,17-18H2,1H3,(H,26,28,30)/t20-/m0/s1.

What are the key properties of 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide?

2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide has a molecular weight of 416.53 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 95809893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).