3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide

C13H18N4O3 — CID 164609492

IUPAC3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide
SMILESCN1CCN(NC(=O)c2cccc(C(=O)NO)c2)CC1
InChIInChI=1S/C13H18N4O3/c1-16-5-7-17(8-6-16)14-12(18)10-3-2-4-11(9-10)13(19)15-20/h2-4,9,20H,5-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyLLAPOEIECXFUIX-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.30
Rot. Bonds3

About 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide

3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide (PubChem CID 164609492) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide
PubChem CID164609492
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide
SMILESCN1CCN(NC(=O)c2cccc(C(=O)NO)c2)CC1
InChIInChI=1S/C13H18N4O3/c1-16-5-7-17(8-6-16)14-12(18)10-3-2-4-11(9-10)13(19)15-20/h2-4,9,20H,5-8H2,1H3,(H,14,18)(H,15,19)
InChIKeyLLAPOEIECXFUIX-UHFFFAOYSA-N
XLogP-0.30
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide (CID 164609492) is 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide is CN1CCN(NC(=O)c2cccc(C(=O)NO)c2)CC1.
What is the InChIKey of 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide?
The InChIKey is LLAPOEIECXFUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-16-5-7-17(8-6-16)14-12(18)10-3-2-4-11(9-10)13(19)15-20/h2-4,9,20H,5-8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide?
3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide has a molecular weight of 278.31 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-hydroxy-1-N-(4-methylpiperazin-1-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 164609492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).