3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide

C25H30N4O3 — CID 45205799

About 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide

3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide (PubChem CID 45205799) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide
• PubChem CID: 45205799
• Molecular Formula: C25H30N4O3
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide
• SMILES: COC(c1ccccc1)c1nnc(CCC(=O)NC2CCN(c3cccc(C)c3)CC2)o1
• InChI: InChI=1S/C25H30N4O3/c1-18-7-6-10-21(17-18)29-15-13-20(14-16-29)26-22(30)11-12-23-27-28-25(32-23)24(31-2)19-8-4-3-5-9-19/h3-10,17,20,24H,11-16H2,1-2H3,(H,26,30)
• InChIKey: XDVBAGAHSDUUCE-UHFFFAOYSA-N
• XLogP: 3.83
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide?

The IUPAC name of 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide (CID 45205799) is 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide.

What is the SMILES notation for 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide?

The canonical SMILES for 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide is COC(c1ccccc1)c1nnc(CCC(=O)NC2CCN(c3cccc(C)c3)CC2)o1.

What is the InChIKey of 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide?

The InChIKey is XDVBAGAHSDUUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-18-7-6-10-21(17-18)29-15-13-20(14-16-29)26-22(30)11-12-23-27-28-25(32-23)24(31-2)19-8-4-3-5-9-19/h3-10,17,20,24H,11-16H2,1-2H3,(H,26,30).

What are the key properties of 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide?

3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-[methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-[1-(3-methylphenyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45205799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).