2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

C30H38FN3O4 — CID 25206541

About 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide

2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (PubChem CID 25206541) has the molecular formula C30H38FN3O4 and a molecular weight of 523.65 g/mol. Its IUPAC name is 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• PubChem CID: 25206541
• Molecular Formula: C30H38FN3O4
• Molecular Weight: 523.65 g/mol
• Exact Mass: 523.28
• IUPAC Name: 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide
• SMILES: COc1cc(CC(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc(OC)c1
• InChI: InChI=1S/C30H38FN3O4/c1-36-25-15-21(16-26(19-25)37-2)17-29(35)32-24-6-3-20(4-7-24)9-12-34-13-10-22(11-14-34)30-27-8-5-23(31)18-28(27)38-33-30/h5,8,15-16,18-20,22,24H,3-4,6-7,9-14,17H2,1-2H3,(H,32,35)
• InChIKey: FDGBPEVIZWNWEX-UHFFFAOYSA-N
• XLogP: 5.47
• TPSA: 76.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	523.65
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The IUPAC name of 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide (CID 25206541) is 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide.

What is the SMILES notation for 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The canonical SMILES for 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is COc1cc(CC(=O)NC2CCC(CCN3CCC(c4noc5cc(F)ccc45)CC3)CC2)cc(OC)c1.

What is the InChIKey of 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

The InChIKey is FDGBPEVIZWNWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38FN3O4/c1-36-25-15-21(16-26(19-25)37-2)17-29(35)32-24-6-3-20(4-7-24)9-12-34-13-10-22(11-14-34)30-27-8-5-23(31)18-28(27)38-33-30/h5,8,15-16,18-20,22,24H,3-4,6-7,9-14,17H2,1-2H3,(H,32,35).

What are the key properties of 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide?

2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide has a molecular weight of 523.65 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,5-dimethoxyphenyl)-N-[4-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]cyclohexyl]acetamide is sourced from PubChem (CID 25206541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).