4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide

C19H19N3O4 — CID 44571330

IUPAC4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1
InChIKeyBAGHRWNLKMAZMR-MRXNPFEDSA-N
MW353.38 g/mol
LogP0.88
Rot. Bonds5

About 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide

4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide (PubChem CID 44571330) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide.

Molecular Properties

Compound Name4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide
PubChem CID44571330
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide
SMILESO=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2ccccc2)cc1
InChIInChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1
InChIKeyBAGHRWNLKMAZMR-MRXNPFEDSA-N
XLogP0.88
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide?
The IUPAC name of 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide (CID 44571330) is 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide.
What is the SMILES notation for 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide?
The canonical SMILES for 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide is O=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2ccccc2)cc1.
What is the InChIKey of 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide?
The InChIKey is BAGHRWNLKMAZMR-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17-11-20-19(25)16(10-13-4-2-1-3-5-13)22(17)12-14-6-8-15(9-7-14)18(24)21-26/h1-9,16,26H,10-12H2,(H,20,25)(H,21,24)/t16-/m1/s1.
What are the key properties of 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide?
4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide has a molecular weight of 353.38 g/mol, XLogP of 0.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-benzyl-3,6-dioxopiperazin-1-yl]methyl]-N-hydroxybenzamide is sourced from PubChem (CID 44571330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).