2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide

C20H26ClN3O3 — CID 154821093

About 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide (PubChem CID 154821093) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide
• PubChem CID: 154821093
• Molecular Formula: C20H26ClN3O3
• Molecular Weight: 391.90 g/mol
• Exact Mass: 391.17
• IUPAC Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide
• SMILES: COCCC1(NC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)CC1
• InChI: InChI=1S/C20H26ClN3O3/c1-26-10-8-20(6-7-20)23-18(25)11-14-3-2-9-24(13-14)19-22-16-5-4-15(21)12-17(16)27-19/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,23,25)
• InChIKey: NISBFDSEDBYFIM-UHFFFAOYSA-N
• XLogP: 3.77
• TPSA: 67.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.90
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide (CID 154821093) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide.

What is the SMILES notation for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide?

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide is COCCC1(NC(=O)CC2CCCN(c3nc4ccc(Cl)cc4o3)C2)CC1.

What is the InChIKey of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide?

The InChIKey is NISBFDSEDBYFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-26-10-8-20(6-7-20)23-18(25)11-14-3-2-9-24(13-14)19-22-16-5-4-15(21)12-17(16)27-19/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,23,25).

What are the key properties of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide?

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide has a molecular weight of 391.90 g/mol, XLogP of 3.77, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-[1-(2-methoxyethyl)cyclopropyl]acetamide is sourced from PubChem (CID 154821093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).