N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

C20H29N3O4 — CID 154820589

About N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 154820589) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• PubChem CID: 154820589
• Molecular Formula: C20H29N3O4
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.22
• IUPAC Name: N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• SMILES: COc1ccc2oc(N3CCCC(CC(=O)NCCC(C)(C)O)C3)nc2c1
• InChI: InChI=1S/C20H29N3O4/c1-20(2,25)8-9-21-18(24)11-14-5-4-10-23(13-14)19-22-16-12-15(26-3)6-7-17(16)27-19/h6-7,12,14,25H,4-5,8-11,13H2,1-3H3,(H,21,24)
• InChIKey: YXNGOSQDJXBZJL-UHFFFAOYSA-N
• XLogP: 2.72
• TPSA: 87.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?

The IUPAC name of N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (CID 154820589) is N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

What is the SMILES notation for N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?

The canonical SMILES for N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is COc1ccc2oc(N3CCCC(CC(=O)NCCC(C)(C)O)C3)nc2c1.

What is the InChIKey of N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?

The InChIKey is YXNGOSQDJXBZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-20(2,25)8-9-21-18(24)11-14-5-4-10-23(13-14)19-22-16-12-15(26-3)6-7-17(16)27-19/h6-7,12,14,25H,4-5,8-11,13H2,1-3H3,(H,21,24).

What are the key properties of N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide?

N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 375.47 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-hydroxy-3-methylbutyl)-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154820589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).