N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

C40H59N7O7 — CID 158782274

About N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate

N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (PubChem CID 158782274) has the molecular formula C40H59N7O7 and a molecular weight of 749.95 g/mol. Its IUPAC name is N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

Molecular Properties

• Compound Name: N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• PubChem CID: 158782274
• Molecular Formula: C40H59N7O7
• Molecular Weight: 749.95 g/mol
• Exact Mass: 749.45
• IUPAC Name: N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate
• SMILES: COC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.Cc1cc(C[C@@H](C)C(=O)N2CCN(C3CCN(CC(=O)N(C)O)CC3)CC2)cc(C)c1O
• InChI: InChI=1S/C24H38N4O4.C16H21N3O3/c1-17-13-20(14-18(2)23(17)30)15-19(3)24(31)28-11-9-27(10-12-28)21-5-7-26(8-6-21)16-22(29)25(4)32;1-22-16(21)18-9-7-13(8-10-18)19-11-6-12-4-2-3-5-14(12)17-15(19)20/h13-14,19,21,30,32H,5-12,15-16H2,1-4H3;2-5,13H,6-11H2,1H3,(H,17,20)/t19-;/m1./s1
• InChIKey: IRFPRJXNTLATCF-FSRHSHDFSA-N
• XLogP: 3.95
• TPSA: 149.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	749.95
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The IUPAC name of N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate (CID 158782274) is N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate.

What is the SMILES notation for N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The canonical SMILES for N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is COC(=O)N1CCC(N2CCc3ccccc3NC2=O)CC1.Cc1cc(C[C@@H](C)C(=O)N2CCN(C3CCN(CC(=O)N(C)O)CC3)CC2)cc(C)c1O.

What is the InChIKey of N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

The InChIKey is IRFPRJXNTLATCF-FSRHSHDFSA-N. The full InChI is InChI=1S/C24H38N4O4.C16H21N3O3/c1-17-13-20(14-18(2)23(17)30)15-19(3)24(31)28-11-9-27(10-12-28)21-5-7-26(8-6-21)16-22(29)25(4)32;1-22-16(21)18-9-7-13(8-10-18)19-11-6-12-4-2-3-5-14(12)17-15(19)20/h13-14,19,21,30,32H,5-12,15-16H2,1-4H3;2-5,13H,6-11H2,1H3,(H,17,20)/t19-;/m1./s1.

What are the key properties of N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate?

N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate has a molecular weight of 749.95 g/mol, XLogP of 3.95, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2-[4-[4-[(2R)-3-(4-hydroxy-3,5-dimethylphenyl)-2-methylpropanoyl]piperazin-1-yl]piperidin-1-yl]-N-methylacetamide;methyl 4-(2-oxo-4,5-dihydro-1H-1,3-benzodiazepin-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 158782274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).