N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C25H28N4O4 — CID 18379189

About N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379189) has the molecular formula C25H28N4O4 and a molecular weight of 448.52 g/mol. Its IUPAC name is N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• PubChem CID: 18379189
• Molecular Formula: C25H28N4O4
• Molecular Weight: 448.52 g/mol
• Exact Mass: 448.21
• IUPAC Name: N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• SMILES: Cc1cc(COc2ccc(C(=O)NC3(CN(O)C=O)CCNCC3)cc2)c2ccccc2n1
• InChI: InChI=1S/C25H28N4O4/c1-18-14-20(22-4-2-3-5-23(22)27-18)15-33-21-8-6-19(7-9-21)24(31)28-25(16-29(32)17-30)10-12-26-13-11-25/h2-9,14,17,26,32H,10-13,15-16H2,1H3,(H,28,31)
• InChIKey: RMFHSZLOJKOCFW-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.52
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The IUPAC name of N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379189) is N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The canonical SMILES for N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CN(O)C=O)CCNCC3)cc2)c2ccccc2n1.

What is the InChIKey of N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The InChIKey is RMFHSZLOJKOCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4/c1-18-14-20(22-4-2-3-5-23(22)27-18)15-33-21-8-6-19(7-9-21)24(31)28-25(16-29(32)17-30)10-12-26-13-11-25/h2-9,14,17,26,32H,10-13,15-16H2,1H3,(H,28,31).

What are the key properties of N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 448.52 g/mol, XLogP of 2.82, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[formyl(hydroxy)amino]methyl]piperidin-4-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).