4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide

C51H57N7O5 — CID 144920775

About 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 144920775) has the molecular formula C51H57N7O5 and a molecular weight of 848.06 g/mol. Its IUPAC name is 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

• Compound Name: 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
• PubChem CID: 144920775
• Molecular Formula: C51H57N7O5
• Molecular Weight: 848.06 g/mol
• Exact Mass: 847.44
• IUPAC Name: 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide
• SMILES: C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C(C[C@@H]2CN(Cc3ccc(C(=O)NO)cc3)C[C@H](C)N2Cc2cccc(-c3ccco3)c2)[C@H](C)N1Cc1cccc(-c2cccnc2)c1
• InChI: InChI=1S/C51H57N7O5/c1-35-28-55(30-38-14-18-42(19-15-38)50(59)53-61)34-47(58(35)33-41-9-5-11-45(25-41)49-13-7-23-63-49)26-48-37(3)57(32-40-8-4-10-44(24-40)46-12-6-22-52-27-46)36(2)29-56(48)31-39-16-20-43(21-17-39)51(60)54-62/h4-25,27,35-37,47-48,61-62H,26,28-34H2,1-3H3,(H,53,59)(H,54,60)/t35-,36+,37-,47+,48?/m0/s1
• InChIKey: JTXHXMJOXBAVGI-AYWSDWOFSA-N
• XLogP: 7.88
• TPSA: 137.65 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 14
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	848.06
LogP ≤ 5	7.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

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 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?

The IUPAC name of 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide (CID 144920775) is 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide.

What is the SMILES notation for 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?

The canonical SMILES for 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide is C[C@@H]1CN(Cc2ccc(C(=O)NO)cc2)C(C[C@@H]2CN(Cc3ccc(C(=O)NO)cc3)C[C@H](C)N2Cc2cccc(-c3ccco3)c2)[C@H](C)N1Cc1cccc(-c2cccnc2)c1.

What is the InChIKey of 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?

The InChIKey is JTXHXMJOXBAVGI-AYWSDWOFSA-N. The full InChI is InChI=1S/C51H57N7O5/c1-35-28-55(30-38-14-18-42(19-15-38)50(59)53-61)34-47(58(35)33-41-9-5-11-45(25-41)49-13-7-23-63-49)26-48-37(3)57(32-40-8-4-10-44(24-40)46-12-6-22-52-27-46)36(2)29-56(48)31-39-16-20-43(21-17-39)51(60)54-62/h4-25,27,35-37,47-48,61-62H,26,28-34H2,1-3H3,(H,53,59)(H,54,60)/t35-,36+,37-,47+,48?/m0/s1.

What are the key properties of 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide?

4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 848.06 g/mol, XLogP of 7.88, 14 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3R,5S)-4-[[3-(furan-2-yl)phenyl]methyl]-3-[[(3S,5R)-1-[[4-(hydroxycarbamoyl)phenyl]methyl]-3,5-dimethyl-4-[(3-pyridin-3-ylphenyl)methyl]piperazin-2-yl]methyl]-5-methylpiperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 144920775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).