3-amino-N-hydroxy-2-piperazin-1-ylbenzamide

C11H16N4O2 — CID 86195266

IUPAC3-amino-N-hydroxy-2-piperazin-1-ylbenzamide
SMILESNc1cccc(C(=O)NO)c1N1CCNCC1
InChIInChI=1S/C11H16N4O2/c12-9-3-1-2-8(11(16)14-17)10(9)15-6-4-13-5-7-15/h1-3,13,17H,4-7,12H2,(H,14,16)
InChIKeyLDGPBTCVZSGETE-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.20
Rot. Bonds2

About 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide

3-amino-N-hydroxy-2-piperazin-1-ylbenzamide (PubChem CID 86195266) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-N-hydroxy-2-piperazin-1-ylbenzamide
PubChem CID86195266
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-amino-N-hydroxy-2-piperazin-1-ylbenzamide
SMILESNc1cccc(C(=O)NO)c1N1CCNCC1
InChIInChI=1S/C11H16N4O2/c12-9-3-1-2-8(11(16)14-17)10(9)15-6-4-13-5-7-15/h1-3,13,17H,4-7,12H2,(H,14,16)
InChIKeyLDGPBTCVZSGETE-UHFFFAOYSA-N
XLogP-0.20
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-2-piperazin-1-ylaniline
CID 23079646
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
3-amino-2-(4-methylpiperazin-1-yl)benzoic acid
CID 84698678
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700
methyl 3-amino-2-morpholin-4-ylbenzoate
CID 112577589
3-amino-2-(4,4-dimethylpiperidin-1-yl)benzoic acid
CID 112578849
3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
CID 112578510
methyl 3-amino-2-[4-(hydroxymethyl)piperidin-1-yl]benzoate
CID 112577545
(2-aminobenzoyl) piperazine-1-carboxylate
CID 174897357
3-amino-2-(4-methylsulfonylpiperazin-1-yl)benzoic acid
CID 115934949
2-(methylcarbamoyl)-3-piperazin-1-ylbenzoic acid
CID 175568528
2-carbamoyl-3-piperazin-1-ylbenzoic acid
CID 172739762

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide?
The IUPAC name of 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide (CID 86195266) is 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide?
The canonical SMILES for 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide is Nc1cccc(C(=O)NO)c1N1CCNCC1.
What is the InChIKey of 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide?
The InChIKey is LDGPBTCVZSGETE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-9-3-1-2-8(11(16)14-17)10(9)15-6-4-13-5-7-15/h1-3,13,17H,4-7,12H2,(H,14,16).
What are the key properties of 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide?
3-amino-N-hydroxy-2-piperazin-1-ylbenzamide has a molecular weight of 236.27 g/mol, XLogP of -0.20, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hydroxy-2-piperazin-1-ylbenzamide is sourced from PubChem (CID 86195266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).