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

C27H35FN2O3 — CID 129457272

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

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 129457272) has the molecular formula C27H35FN2O3 and a molecular weight of 454.59 g/mol. Its IUPAC name is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

• Compound Name: (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
• PubChem CID: 129457272
• Molecular Formula: C27H35FN2O3
• Molecular Weight: 454.59 g/mol
• Exact Mass: 454.26
• IUPAC Name: (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
• SMILES: COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCC(C)CC3)CCCO2)cc1
• InChI: InChI=1S/C27H35FN2O3/c1-20-10-14-30(15-11-20)16-13-29-26(31)27(12-3-17-33-27)19-21-4-6-22(7-5-21)24-18-23(28)8-9-25(24)32-2/h4-9,18,20H,3,10-17,19H2,1-2H3,(H,29,31)/t27-/m1/s1
• InChIKey: OUBSNTDFEOSMBG-HHHXNRCGSA-N
• XLogP: 4.44
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.59
LogP ≤ 5	4.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide (CID 129457272) is (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide.

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

The canonical SMILES for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide is COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCN3CCC(C)CC3)CCCO2)cc1.

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

The InChIKey is OUBSNTDFEOSMBG-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H35FN2O3/c1-20-10-14-30(15-11-20)16-13-29-26(31)27(12-3-17-33-27)19-21-4-6-22(7-5-21)24-18-23(28)8-9-25(24)32-2/h4-9,18,20H,3,10-17,19H2,1-2H3,(H,29,31)/t27-/m1/s1.

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

(2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 454.59 g/mol, XLogP of 4.44, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[[4-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 129457272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).