N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide

C21H26FN3O — CID 155992615

About N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide

N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide (PubChem CID 155992615) has the molecular formula C21H26FN3O and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide
• PubChem CID: 155992615
• Molecular Formula: C21H26FN3O
• Molecular Weight: 355.46 g/mol
• Exact Mass: 355.21
• IUPAC Name: N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide
• SMILES: CC(=O)N[C@H]1CCCN(Cc2ncccc2C)[C@H]1Cc1cccc(F)c1
• InChI: InChI=1S/C21H26FN3O/c1-15-6-4-10-23-20(15)14-25-11-5-9-19(24-16(2)26)21(25)13-17-7-3-8-18(22)12-17/h3-4,6-8,10,12,19,21H,5,9,11,13-14H2,1-2H3,(H,24,26)/t19-,21-/m0/s1
• InChIKey: OEJYWFGQYTWKMX-FPOVZHCZSA-N
• XLogP: 3.24
• TPSA: 45.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.46
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide?

The IUPAC name of N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide (CID 155992615) is N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide.

What is the SMILES notation for N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide?

The canonical SMILES for N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide is CC(=O)N[C@H]1CCCN(Cc2ncccc2C)[C@H]1Cc1cccc(F)c1.

What is the InChIKey of N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide?

The InChIKey is OEJYWFGQYTWKMX-FPOVZHCZSA-N. The full InChI is InChI=1S/C21H26FN3O/c1-15-6-4-10-23-20(15)14-25-11-5-9-19(24-16(2)26)21(25)13-17-7-3-8-18(22)12-17/h3-4,6-8,10,12,19,21H,5,9,11,13-14H2,1-2H3,(H,24,26)/t19-,21-/m0/s1.

What are the key properties of N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide?

N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide has a molecular weight of 355.46 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3S)-2-[(3-fluorophenyl)methyl]-1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 155992615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).