3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide

C13H19N3O2 — CID 102964134

IUPAC3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2c(N)cccc2C(N)=O)CC1O
InChIInChI=1S/C13H19N3O2/c1-8-5-6-16(7-11(8)17)12-9(13(15)18)3-2-4-10(12)14/h2-4,8,11,17H,5-7,14H2,1H3,(H2,15,18)
InChIKeyZDUDMRFRCRYXPE-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.57
Rot. Bonds2

About 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide

3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide (PubChem CID 102964134) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
PubChem CID102964134
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide
SMILESCC1CCN(c2c(N)cccc2C(N)=O)CC1O
InChIInChI=1S/C13H19N3O2/c1-8-5-6-16(7-11(8)17)12-9(13(15)18)3-2-4-10(12)14/h2-4,8,11,17H,5-7,14H2,1H3,(H2,15,18)
InChIKeyZDUDMRFRCRYXPE-UHFFFAOYSA-N
XLogP0.57
TPSA92.58 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 ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(2,6-dimethylmorpholin-4-yl)benzamide
CID 112577647
3-amino-2-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzamide
CID 112579335
3-amino-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzamide
CID 115935384
3-amino-2-(azetidin-1-yl)benzamide
CID 130548096
3-amino-2-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)benzamide
CID 113399437
3-amino-2-(3-methylpiperidin-1-yl)benzoic acid
CID 112577649
3-amino-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)benzamide
CID 115935111
2-(3-hydroxy-4-methylpiperidin-1-yl)benzoic acid
CID 102958633
3-amino-2-(1-oxo-1,4-thiazinan-4-yl)benzamide
CID 112578510
1-(2-amino-6-methylphenyl)-3-methylpiperidin-4-ol
CID 114677744
3-amino-2-(4-methylazepan-1-yl)benzoic acid
CID 112578959
3-amino-2-(2,4-dimethyl-1,4-diazepan-1-yl)benzamide
CID 114087272

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The IUPAC name of 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide (CID 102964134) is 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide.
What is the SMILES notation for 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The canonical SMILES for 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide is CC1CCN(c2c(N)cccc2C(N)=O)CC1O.
What is the InChIKey of 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
The InChIKey is ZDUDMRFRCRYXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-8-5-6-16(7-11(8)17)12-9(13(15)18)3-2-4-10(12)14/h2-4,8,11,17H,5-7,14H2,1H3,(H2,15,18).
What are the key properties of 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide?
3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide has a molecular weight of 249.31 g/mol, XLogP of 0.57, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)benzamide is sourced from PubChem (CID 102964134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).