2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

C26H32F2N2O2 — CID 45216465

About 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide

2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 45216465) has the molecular formula C26H32F2N2O2 and a molecular weight of 442.55 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
• PubChem CID: 45216465
• Molecular Formula: C26H32F2N2O2
• Molecular Weight: 442.55 g/mol
• Exact Mass: 442.24
• IUPAC Name: 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide
• SMILES: O=C(Cc1cccc(F)c1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1
• InChI: InChI=1S/C26H32F2N2O2/c27-23-7-3-5-21(15-23)16-26(31)30(19-24-8-4-14-32-24)17-20-10-12-29(13-11-20)18-22-6-1-2-9-25(22)28/h1-3,5-7,9,15,20,24H,4,8,10-14,16-19H2
• InChIKey: YMCSNAOFVUIEBU-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 32.78 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.55
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The IUPAC name of 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide (CID 45216465) is 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide.

What is the SMILES notation for 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The canonical SMILES for 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cc1cccc(F)c1)N(CC1CCN(Cc2ccccc2F)CC1)CC1CCCO1.

What is the InChIKey of 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

The InChIKey is YMCSNAOFVUIEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N2O2/c27-23-7-3-5-21(15-23)16-26(31)30(19-24-8-4-14-32-24)17-20-10-12-29(13-11-20)18-22-6-1-2-9-25(22)28/h1-3,5-7,9,15,20,24H,4,8,10-14,16-19H2.

What are the key properties of 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide?

2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 442.55 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-fluorophenyl)-N-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 45216465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).