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

C23H24N4O3 — CID 154821408

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

N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (PubChem CID 154821408) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

Molecular Properties

• Compound Name: N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• PubChem CID: 154821408
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide
• SMILES: COc1ccc2oc(N3CCCC(CC(=O)NCc4cccc(C#N)c4)C3)nc2c1
• InChI: InChI=1S/C23H24N4O3/c1-29-19-7-8-21-20(12-19)26-23(30-21)27-9-3-6-18(15-27)11-22(28)25-14-17-5-2-4-16(10-17)13-24/h2,4-5,7-8,10,12,18H,3,6,9,11,14-15H2,1H3,(H,25,28)
• InChIKey: UYTFHQJNDSTING-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 91.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide (CID 154821408) is N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide.

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

The canonical SMILES for N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is COc1ccc2oc(N3CCCC(CC(=O)NCc4cccc(C#N)c4)C3)nc2c1.

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

The InChIKey is UYTFHQJNDSTING-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-29-19-7-8-21-20(12-19)26-23(30-21)27-9-3-6-18(15-27)11-22(28)25-14-17-5-2-4-16(10-17)13-24/h2,4-5,7-8,10,12,18H,3,6,9,11,14-15H2,1H3,(H,25,28).

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

N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide has a molecular weight of 404.47 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-cyanophenyl)methyl]-2-[1-(5-methoxy-1,3-benzoxazol-2-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 154821408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).