N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

C29H36N4O4 — CID 18379313

About N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide

N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (PubChem CID 18379313) has the molecular formula C29H36N4O4 and a molecular weight of 504.63 g/mol. Its IUPAC name is N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• PubChem CID: 18379313
• Molecular Formula: C29H36N4O4
• Molecular Weight: 504.63 g/mol
• Exact Mass: 504.27
• IUPAC Name: N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide
• SMILES: Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCN(CC(C)C)C3)cc2)c2ccccc2n1
• InChI: InChI=1S/C29H36N4O4/c1-20(2)17-33-14-6-13-29(19-33,16-27(34)32-36)31-28(35)22-9-11-24(12-10-22)37-18-23-15-21(3)30-26-8-5-4-7-25(23)26/h4-5,7-12,15,20,36H,6,13-14,16-19H2,1-3H3,(H,31,35)(H,32,34)
• InChIKey: SZNASMXDBNRZDK-UHFFFAOYSA-N
• XLogP: 4.24
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.63
LogP ≤ 5	4.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'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-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The IUPAC name of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide (CID 18379313) is N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide.

What is the SMILES notation for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The canonical SMILES for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCN(CC(C)C)C3)cc2)c2ccccc2n1.

What is the InChIKey of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

The InChIKey is SZNASMXDBNRZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O4/c1-20(2)17-33-14-6-13-29(19-33,16-27(34)32-36)31-28(35)22-9-11-24(12-10-22)37-18-23-15-21(3)30-26-8-5-4-7-25(23)26/h4-5,7-12,15,20,36H,6,13-14,16-19H2,1-3H3,(H,31,35)(H,32,34).

What are the key properties of N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide?

N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide has a molecular weight of 504.63 g/mol, XLogP of 4.24, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[2-(hydroxyamino)-2-oxoethyl]-1-(2-methylpropyl)piperidin-3-yl]-4-[(2-methylquinolin-4-yl)methoxy]benzamide is sourced from PubChem (CID 18379313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).