2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid

C14H19N3O4 — CID 61406321

IUPAC2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCCN1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-16-5-7-17(8-6-16)14(21)15-12-4-3-10(18)9-11(12)13(19)20/h3-4,9,18H,2,5-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyXHMVAWHBFWXFBV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.26
Rot. Bonds3

About 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid

2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid (PubChem CID 61406321) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
PubChem CID61406321
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid
SMILESCCN1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1
InChIInChI=1S/C14H19N3O4/c1-2-16-5-7-17(8-6-16)14(21)15-12-4-3-10(18)9-11(12)13(19)20/h3-4,9,18H,2,5-8H2,1H3,(H,15,21)(H,19,20)
InChIKeyXHMVAWHBFWXFBV-UHFFFAOYSA-N
XLogP1.26
TPSA93.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146
5-hydroxy-2-[(4-methoxypiperidine-1-carbonyl)amino]benzoic acid
CID 61405887
4-[(4-ethylpiperazine-1-carbonyl)amino]-3-fluorobenzoic acid
CID 63190369
N-(3,5-dihydroxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108895534
2-[(4-ethylpiperazine-1-carbonyl)amino]-3-methylbenzoic acid
CID 61190598
5-bromo-2-[(4-methylpiperazine-1-carbonyl)amino]benzoic acid
CID 62074359
N-(2,6-dimethoxyphenyl)-4-ethylpiperazine-1-carboxamide
CID 108867993
N-(2,5-dichlorophenyl)-4-ethyl-1,4-diazepane-1-carboxamide
CID 47090156
N-(3,4-dichlorophenyl)-4-ethylpiperazine-1-carboxamide
CID 1249136
2-(cyclopropanecarbonylamino)-5-(4-ethylpiperazin-1-yl)benzoic acid
CID 50782275
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid?
The IUPAC name of 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid (CID 61406321) is 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid?
The canonical SMILES for 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid is CCN1CCN(C(=O)Nc2ccc(O)cc2C(=O)O)CC1.
What is the InChIKey of 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid?
The InChIKey is XHMVAWHBFWXFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-2-16-5-7-17(8-6-16)14(21)15-12-4-3-10(18)9-11(12)13(19)20/h3-4,9,18H,2,5-8H2,1H3,(H,15,21)(H,19,20).
What are the key properties of 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid?
2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethylpiperazine-1-carbonyl)amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 61406321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).