2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid

C15H20N2O4 — CID 154746397

IUPAC2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
SMILESCC1CCN(CC(=O)Nc2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-10-4-6-17(7-5-10)9-14(19)16-11-2-3-13(18)12(8-11)15(20)21/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19)(H,20,21)
InChIKeyKXLKFNGMXYTOCU-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.76
Rot. Bonds4

About 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid

2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 154746397) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
PubChem CID154746397
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid
SMILESCC1CCN(CC(=O)Nc2ccc(O)c(C(=O)O)c2)CC1
InChIInChI=1S/C15H20N2O4/c1-10-4-6-17(7-5-10)9-14(19)16-11-2-3-13(18)12(8-11)15(20)21/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19)(H,20,21)
InChIKeyKXLKFNGMXYTOCU-UHFFFAOYSA-N
XLogP1.76
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetamidophenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 2697828
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 79323581
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
2-(4-aminopiperidin-1-yl)-N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 79327970
2-(4-methylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 8543875
N-[4-(azepan-1-yl)phenyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 1460513
2-(4-methylpiperidin-1-yl)-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54816946
N-(1-ethyl-6-oxo-3-pyridinyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 71849994
2-(4-methylpiperidin-1-yl)-N-[4-(oxan-4-ylamino)phenyl]acetamide
CID 75381420
2-(4-methylpiperidin-1-yl)-N-[4-(piperidine-1-carbonyl)phenyl]acetamide;oxalic acid
CID 24746961
3-[[4-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoyl]amino]propanoic acid
CID 39182729
2-hydroxy-5-[(3-methylcyclobutyl)carbamoylamino]benzoic acid
CID 113467378

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid (CID 154746397) is 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid is CC1CCN(CC(=O)Nc2ccc(O)c(C(=O)O)c2)CC1.
What is the InChIKey of 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is KXLKFNGMXYTOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-10-4-6-17(7-5-10)9-14(19)16-11-2-3-13(18)12(8-11)15(20)21/h2-3,8,10,18H,4-7,9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid?
2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[2-(4-methylpiperidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 154746397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).