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

C23H23BrN4O3 — CID 53130343

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

N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (PubChem CID 53130343) has the molecular formula C23H23BrN4O3 and a molecular weight of 483.37 g/mol. Its IUPAC name is N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• PubChem CID: 53130343
• Molecular Formula: C23H23BrN4O3
• Molecular Weight: 483.37 g/mol
• Exact Mass: 482.10
• IUPAC Name: N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
• SMILES: CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4cccc(Br)c4)CC3)n2)c1
• InChI: InChI=1S/C23H23BrN4O3/c1-2-20(29)25-19-8-4-5-16(14-19)21-26-22(31-27-21)15-9-11-28(12-10-15)23(30)17-6-3-7-18(24)13-17/h3-8,13-15H,2,9-12H2,1H3,(H,25,29)
• InChIKey: VCXCZRDFTVDUDD-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.37
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide (CID 53130343) is N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide.

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

The canonical SMILES for N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is CCC(=O)Nc1cccc(-c2noc(C3CCN(C(=O)c4cccc(Br)c4)CC3)n2)c1.

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

The InChIKey is VCXCZRDFTVDUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O3/c1-2-20(29)25-19-8-4-5-16(14-19)21-26-22(31-27-21)15-9-11-28(12-10-15)23(30)17-6-3-7-18(24)13-17/h3-8,13-15H,2,9-12H2,1H3,(H,25,29).

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

N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide has a molecular weight of 483.37 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-[1-(3-bromobenzoyl)piperidin-4-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide is sourced from PubChem (CID 53130343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).