N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide

C13H19N3O2 — CID 163183437

IUPACN-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)
InChIKeyVMDZCGSWWDTUMR-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.55
Rot. Bonds3

About N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide

N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide (PubChem CID 163183437) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
PubChem CID163183437
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC NameN-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide
SMILESCN1CCN(Cc2ccc(C(=O)NO)cc2)CC1
InChIInChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17)
InChIKeyVMDZCGSWWDTUMR-UHFFFAOYSA-N
XLogP0.55
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
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 N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The IUPAC name of N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide (CID 163183437) is N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide is CN1CCN(Cc2ccc(C(=O)NO)cc2)CC1.
What is the InChIKey of N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
The InChIKey is VMDZCGSWWDTUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-15-6-8-16(9-7-15)10-11-2-4-12(5-3-11)13(17)14-18/h2-5,18H,6-10H2,1H3,(H,14,17).
What are the key properties of N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide?
N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[(4-methylpiperazin-1-yl)methyl]benzamide is sourced from PubChem (CID 163183437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).