N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C24H28N4O4 — CID 56551658

About N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 56551658) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• PubChem CID: 56551658
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• SMILES: Cc1nc(COc2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)no1
• InChI: InChI=1S/C24H28N4O4/c1-17-26-23(27-32-17)16-31-22-8-6-20(7-9-22)24(30)25-14-18-2-4-19(5-3-18)15-28-12-10-21(29)11-13-28/h2-9,21,29H,10-16H2,1H3,(H,25,30)
• InChIKey: VDIXENWMKBQBPZ-UHFFFAOYSA-N
• XLogP: 2.84
• TPSA: 100.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 56551658) is N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

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

The canonical SMILES for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccc(C(=O)NCc3ccc(CN4CCC(O)CC4)cc3)cc2)no1.

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

The InChIKey is VDIXENWMKBQBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-17-26-23(27-32-17)16-31-22-8-6-20(7-9-22)24(30)25-14-18-2-4-19(5-3-18)15-28-12-10-21(29)11-13-28/h2-9,21,29H,10-16H2,1H3,(H,25,30).

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

N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 436.51 g/mol, XLogP of 2.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 56551658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).