N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide

C25H29N3O5 — CID 45193218

About N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide

N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide (PubChem CID 45193218) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
• PubChem CID: 45193218
• Molecular Formula: C25H29N3O5
• Molecular Weight: 451.52 g/mol
• Exact Mass: 451.21
• IUPAC Name: N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide
• SMILES: COc1ccc(NC(=O)CCC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c(C)c1
• InChI: InChI=1S/C25H29N3O5/c1-17-14-19(32-2)10-11-20(17)26-23(29)12-9-18-6-5-13-27(15-18)24(30)16-28-21-7-3-4-8-22(21)33-25(28)31/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-16H2,1-2H3,(H,26,29)
• InChIKey: OYZFNPVIMZFKKE-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 93.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.52
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide (CID 45193218) is N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide is COc1ccc(NC(=O)CCC2CCCN(C(=O)Cn3c(=O)oc4ccccc43)C2)c(C)c1.

What is the InChIKey of N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide?

The InChIKey is OYZFNPVIMZFKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-17-14-19(32-2)10-11-20(17)26-23(29)12-9-18-6-5-13-27(15-18)24(30)16-28-21-7-3-4-8-22(21)33-25(28)31/h3-4,7-8,10-11,14,18H,5-6,9,12-13,15-16H2,1-2H3,(H,26,29).

What are the key properties of N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide?

N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide has a molecular weight of 451.52 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxy-2-methylphenyl)-3-[1-[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 45193218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).