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

C20H26ClN3O3 — CID 154569018

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

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide (PubChem CID 154569018) 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-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
• PubChem CID: 154569018
• 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-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide
• SMILES: CN(CC1(C)COC1)C(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1
• InChI: InChI=1S/C20H26ClN3O3/c1-20(12-26-13-20)11-23(2)18(25)8-14-4-3-7-24(10-14)19-22-16-6-5-15(21)9-17(16)27-19/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3
• InChIKey: LACFCZFRZCEVNY-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 58.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.90
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	0
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-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide?

The IUPAC name of 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide (CID 154569018) is 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide.

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

The canonical SMILES for 2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide is CN(CC1(C)COC1)C(=O)CC1CCCN(c2nc3ccc(Cl)cc3o2)C1.

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

The InChIKey is LACFCZFRZCEVNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-20(12-26-13-20)11-23(2)18(25)8-14-4-3-7-24(10-14)19-22-16-6-5-15(21)9-17(16)27-19/h5-6,9,14H,3-4,7-8,10-13H2,1-2H3.

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

2-[1-(6-chloro-1,3-benzoxazol-2-yl)piperidin-3-yl]-N-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide has a molecular weight of 391.90 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 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-methyl-N-[(3-methyloxetan-3-yl)methyl]acetamide is sourced from PubChem (CID 154569018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).