5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid

C12H15N3O4 — CID 61406146

IUPAC5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H15N3O4/c16-8-1-2-10(9(7-8)11(17)18)14-12(19)15-5-3-13-4-6-15/h1-2,7,13,16H,3-6H2,(H,14,19)(H,17,18)
InChIKeyBIALFDWIWHLIKO-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.53
Rot. Bonds2

About 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid

5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid (PubChem CID 61406146) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
PubChem CID61406146
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
SMILESO=C(O)c1cc(O)ccc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H15N3O4/c16-8-1-2-10(9(7-8)11(17)18)14-12(19)15-5-3-13-4-6-15/h1-2,7,13,16H,3-6H2,(H,14,19)(H,17,18)
InChIKeyBIALFDWIWHLIKO-UHFFFAOYSA-N
XLogP0.53
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
CID 61406321
5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61405887
2-[[2-(1,4-diazepan-1-yl)acetyl]amino]-5-hydroxybenzoic acid
CID 62839797
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
5-iodo-2-[(5-oxo-1,4-diazepane-1-carbonyl)amino]benzoic acid
CID 63112031
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
5-iodo-2-(piperidine-1-carbonylamino)benzoic acid
CID 55179038
2-(morpholine-4-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22268773
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
2-(azetidine-1-carbonylamino)-5-(trifluoromethyl)benzoic acid
CID 22143302

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid?
The IUPAC name of 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid (CID 61406146) is 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid is O=C(O)c1cc(O)ccc1NC(=O)N1CCNCC1.
What is the InChIKey of 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid?
The InChIKey is BIALFDWIWHLIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-8-1-2-10(9(7-8)11(17)18)14-12(19)15-5-3-13-4-6-15/h1-2,7,13,16H,3-6H2,(H,14,19)(H,17,18).
What are the key properties of 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid?
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid has a molecular weight of 265.27 g/mol, XLogP of 0.53, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid is sourced from PubChem (CID 61406146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).