2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide

C26H33FN2O3 — CID 132779173

About 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide

2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide (PubChem CID 132779173) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide
• PubChem CID: 132779173
• Molecular Formula: C26H33FN2O3
• Molecular Weight: 440.56 g/mol
• Exact Mass: 440.25
• IUPAC Name: 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide
• SMILES: COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCC3CCCN(C)C3)CCCO2)cc1
• InChI: InChI=1S/C26H33FN2O3/c1-29-13-3-5-20(18-29)17-28-25(30)26(12-4-14-32-26)16-19-6-8-21(9-7-19)23-15-22(27)10-11-24(23)31-2/h6-11,15,20H,3-5,12-14,16-18H2,1-2H3,(H,28,30)
• InChIKey: UNLVBCPRLYGXCA-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.56
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide?

The IUPAC name of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide (CID 132779173) is 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide.

What is the SMILES notation for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide?

The canonical SMILES for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide is COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCC3CCCN(C)C3)CCCO2)cc1.

What is the InChIKey of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide?

The InChIKey is UNLVBCPRLYGXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-29-13-3-5-20(18-29)17-28-25(30)26(12-4-14-32-26)16-19-6-8-21(9-7-19)23-15-22(27)10-11-24(23)31-2/h6-11,15,20H,3-5,12-14,16-18H2,1-2H3,(H,28,30).

What are the key properties of 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide?

2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide has a molecular weight of 440.56 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(1-methylpiperidin-3-yl)methyl]oxolane-2-carboxamide is sourced from PubChem (CID 132779173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).