1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide

C12H15N3O4 — CID 107728749

IUPAC1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C12H15N3O4/c13-11(18)8-6-14-3-4-15(8)12(19)7-1-2-9(16)10(17)5-7/h1-2,5,8,14,16-17H,3-4,6H2,(H2,13,18)
InChIKeyPJKCNEAVYPNTIU-UHFFFAOYSA-N
MW265.27 g/mol
LogP-1.00
Rot. Bonds2

About 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide

1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide (PubChem CID 107728749) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
PubChem CID107728749
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide
SMILESNC(=O)C1CNCCN1C(=O)c1ccc(O)c(O)c1
InChIInChI=1S/C12H15N3O4/c13-11(18)8-6-14-3-4-15(8)12(19)7-1-2-9(16)10(17)5-7/h1-2,5,8,14,16-17H,3-4,6H2,(H2,13,18)
InChIKeyPJKCNEAVYPNTIU-UHFFFAOYSA-N
XLogP-1.00
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-1.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963605
1-(4-hydroxy-3-methylbenzoyl)-N,N-dimethylpiperazine-2-carboxamide
CID 107672122
[1-(3-hydroxy-4-methylbenzoyl)piperazin-2-yl]-pyrrolidin-1-ylmethanone
CID 56891026
1-(2,5-dichlorothiophene-3-carbonyl)piperazine-2-carboxamide
CID 107963606
1-(5-bromo-4-methylthiophene-2-carbonyl)piperazine-2-carboxamide
CID 79997413
1-(1-methylimidazole-4-carbonyl)piperazine-2-carboxamide
CID 107973355
1-(2,3-dihydro-1H-indene-2-carbonyl)piperazine-2-carboxamide
CID 106893368
1-(4-chloro-3-fluorobenzoyl)-N-ethylpiperazine-2-carboxamide
CID 107990513
1-(2-oxo-1,3-dihydroindole-5-carbonyl)piperazine-2-carboxylic acid
CID 102711591
(2S)-1-(4-fluorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 124513939
1-(3-bromo-4-chlorobenzoyl)-N-methylpiperazine-2-carboxamide
CID 107990506
1-N,1-N-dimethylpiperazine-1,2-dicarboxamide
CID 79154530

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide?
The IUPAC name of 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide (CID 107728749) is 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide is NC(=O)C1CNCCN1C(=O)c1ccc(O)c(O)c1.
What is the InChIKey of 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide?
The InChIKey is PJKCNEAVYPNTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c13-11(18)8-6-14-3-4-15(8)12(19)7-1-2-9(16)10(17)5-7/h1-2,5,8,14,16-17H,3-4,6H2,(H2,13,18).
What are the key properties of 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide?
1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide has a molecular weight of 265.27 g/mol, XLogP of -1.00, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxybenzoyl)piperazine-2-carboxamide is sourced from PubChem (CID 107728749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).