4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide

C13H19N3O2 — CID 89070568

IUPAC4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-16-6-4-10(5-7-16)15-13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,17H,4-7,14H2,1H3,(H,15,18)
InChIKeyWZLJEATWZTVAIP-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.80
Rot. Bonds2

About 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide

4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide (PubChem CID 89070568) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
PubChem CID89070568
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(N)c(O)c2)CC1
InChIInChI=1S/C13H19N3O2/c1-16-6-4-10(5-7-16)15-13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,17H,4-7,14H2,1H3,(H,15,18)
InChIKeyWZLJEATWZTVAIP-UHFFFAOYSA-N
XLogP0.80
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-hydroxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 107074871
4-amino-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373277
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703
4-amino-N-(4-ethylcyclohexyl)-3-hydroxybenzamide
CID 107074880
N-(1-methylpiperidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 47116639
3,5-diamino-N-(1-methylpiperidin-4-yl)benzamide
CID 61094399
4-carbamothioyl-N-(1-methylpiperidin-4-yl)benzamide
CID 43373646
4-bromo-3-methyl-N-(1-methylpiperidin-4-yl)benzamide
CID 54252935
4-amino-N-(1-cyclopropylpiperidin-4-yl)-3-methylbenzamide
CID 43711761
ethane;N-(1-methylpiperidin-4-yl)benzamide
CID 142009687
4-amino-N-(1-ethylpiperidin-4-yl)-3-methylbenzamide
CID 54915908
4-amino-N-(1-tert-butylpiperidin-4-yl)-3-methylbenzamide
CID 60945933

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide?
The IUPAC name of 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide (CID 89070568) is 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(N)c(O)c2)CC1.
What is the InChIKey of 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide?
The InChIKey is WZLJEATWZTVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16-6-4-10(5-7-16)15-13(18)9-2-3-11(14)12(17)8-9/h2-3,8,10,17H,4-7,14H2,1H3,(H,15,18).
What are the key properties of 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide?
4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxy-N-(1-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 89070568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).