N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide

C35H41N5O7 — CID 6675495

About N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide

N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide (PubChem CID 6675495) has the molecular formula C35H41N5O7 and a molecular weight of 643.74 g/mol. Its IUPAC name is N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide.

Molecular Properties

• Compound Name: N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide
• PubChem CID: 6675495
• Molecular Formula: C35H41N5O7
• Molecular Weight: 643.74 g/mol
• Exact Mass: 643.30
• IUPAC Name: N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide
• SMILES: O=C(CCCC(=O)Nc1cccc([C@H]2O[C@@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)C[C@@H](c3ccc(CO)cc3)O2)c1)NO
• InChI: InChI=1S/C35H41N5O7/c41-22-23-11-13-24(14-12-23)31-20-28(21-39-17-15-27(16-18-39)40-30-8-2-1-7-29(30)37-35(40)44)46-34(47-31)25-5-3-6-26(19-25)36-32(42)9-4-10-33(43)38-45/h1-3,5-8,11-14,19,27-28,31,34,41,45H,4,9-10,15-18,20-22H2,(H,36,42)(H,37,44)(H,38,43)/t28-,31+,34+/m1/s1
• InChIKey: COERHFYEVFAQMP-HFFCRWFYSA-N
• XLogP: 4.32
• TPSA: 158.15 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	643.74
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	5
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-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide?

The IUPAC name of N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide (CID 6675495) is N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide.

What is the SMILES notation for N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide?

The canonical SMILES for N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide is O=C(CCCC(=O)Nc1cccc([C@H]2O[C@@H](CN3CCC(n4c(=O)[nH]c5ccccc54)CC3)C[C@@H](c3ccc(CO)cc3)O2)c1)NO.

What is the InChIKey of N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide?

The InChIKey is COERHFYEVFAQMP-HFFCRWFYSA-N. The full InChI is InChI=1S/C35H41N5O7/c41-22-23-11-13-24(14-12-23)31-20-28(21-39-17-15-27(16-18-39)40-30-8-2-1-7-29(30)37-35(40)44)46-34(47-31)25-5-3-6-26(19-25)36-32(42)9-4-10-33(43)38-45/h1-3,5-8,11-14,19,27-28,31,34,41,45H,4,9-10,15-18,20-22H2,(H,36,42)(H,37,44)(H,38,43)/t28-,31+,34+/m1/s1.

What are the key properties of N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide?

N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide has a molecular weight of 643.74 g/mol, XLogP of 4.32, 11 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N'-hydroxy-N-[3-[(2R,4S,6R)-4-[4-(hydroxymethyl)phenyl]-6-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]-1,3-dioxan-2-yl]phenyl]pentanediamide is sourced from PubChem (CID 6675495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).