N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

C23H29N5O3 — CID 154820253

About N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 154820253) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• PubChem CID: 154820253
• Molecular Formula: C23H29N5O3
• Molecular Weight: 423.52 g/mol
• Exact Mass: 423.23
• IUPAC Name: N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• SMILES: COc1ccc2oc(N3CCCC(CC(=O)NCCc4nc(C)cc(C)n4)C3)nc2c1
• InChI: InChI=1S/C23H29N5O3/c1-15-11-16(2)26-21(25-15)8-9-24-22(29)12-17-5-4-10-28(14-17)23-27-19-13-18(30-3)6-7-20(19)31-23/h6-7,11,13,17H,4-5,8-10,12,14H2,1-3H3,(H,24,29)
• InChIKey: YCFVBARZCVNFLH-UHFFFAOYSA-N
• XLogP: 3.21
• TPSA: 93.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.52
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (CID 154820253) is N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

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

The canonical SMILES for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is COc1ccc2oc(N3CCCC(CC(=O)NCCc4nc(C)cc(C)n4)C3)nc2c1.

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

The InChIKey is YCFVBARZCVNFLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-11-16(2)26-21(25-15)8-9-24-22(29)12-17-5-4-10-28(14-17)23-27-19-13-18(30-3)6-7-20(19)31-23/h6-7,11,13,17H,4-5,8-10,12,14H2,1-3H3,(H,24,29).

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

N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 423.52 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4,6-dimethylpyrimidin-2-yl)ethyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154820253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).