4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide

C23H23N5O6 — CID 177377695

About 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide

4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide (PubChem CID 177377695) has the molecular formula C23H23N5O6 and a molecular weight of 465.47 g/mol. Its IUPAC name is 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide.

Molecular Properties

• Compound Name: 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
• PubChem CID: 177377695
• Molecular Formula: C23H23N5O6
• Molecular Weight: 465.47 g/mol
• Exact Mass: 465.16
• IUPAC Name: 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide
• SMILES: CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)NO)cc2)cc1
• InChI: InChI=1S/C23H23N5O6/c1-28-18(23(33)26-13-19(28)29)12-14-2-4-15(5-3-14)20(30)24-10-11-25-21(31)16-6-8-17(9-7-16)22(32)27-34/h2-9,12,34H,10-11,13H2,1H3,(H,24,30)(H,25,31)(H,26,33)(H,27,32)/b18-12-
• InChIKey: IUGUXHAVRSIWCO-PDGQHHTCSA-N
• XLogP: -0.11
• TPSA: 156.94 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.47
LogP ≤ 5	-0.11
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide?

The IUPAC name of 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide (CID 177377695) is 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide.

What is the SMILES notation for 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide?

The canonical SMILES for 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide is CN1C(=O)CNC(=O)/C1=C/c1ccc(C(=O)NCCNC(=O)c2ccc(C(=O)NO)cc2)cc1.

What is the InChIKey of 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide?

The InChIKey is IUGUXHAVRSIWCO-PDGQHHTCSA-N. The full InChI is InChI=1S/C23H23N5O6/c1-28-18(23(33)26-13-19(28)29)12-14-2-4-15(5-3-14)20(30)24-10-11-25-21(31)16-6-8-17(9-7-16)22(32)27-34/h2-9,12,34H,10-11,13H2,1H3,(H,24,30)(H,25,31)(H,26,33)(H,27,32)/b18-12-.

What are the key properties of 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide?

4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide has a molecular weight of 465.47 g/mol, XLogP of -0.11, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-hydroxy-1-N-[2-[[4-[(Z)-(1-methyl-3,6-dioxopiperazin-2-ylidene)methyl]benzoyl]amino]ethyl]benzene-1,4-dicarboxamide is sourced from PubChem (CID 177377695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).