3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide

C13H18FN3O — CID 83013511

IUPAC3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1c(N)cc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C13H18FN3O/c1-9-11(14)7-10(8-12(9)15)13(18)16-17-5-3-2-4-6-17/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyGCJYOAREHOIFBF-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide

3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide (PubChem CID 83013511) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
PubChem CID83013511
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide
SMILESCc1c(N)cc(C(=O)NN2CCCCC2)cc1F
InChIInChI=1S/C13H18FN3O/c1-9-11(14)7-10(8-12(9)15)13(18)16-17-5-3-2-4-6-17/h7-8H,2-6,15H2,1H3,(H,16,18)
InChIKeyGCJYOAREHOIFBF-UHFFFAOYSA-N
XLogP1.85
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide 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

3-fluoro-4-methyl-N-piperidin-1-ylbenzamide
CID 9083904
3-amino-5-fluoro-4-methyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzamide
CID 115597811
3-amino-N-cyclopentyl-5-fluoro-4-methylbenzamide
CID 60861850
3,5-difluoro-N-piperidin-1-yl-4-(propylamino)benzamide
CID 83016826
3-amino-5-fluoro-4-methyl-N-(2-methylcyclopropyl)benzamide
CID 62396682
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-5-fluoro-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208197
(3-amino-5-fluoro-4-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 60861512
3-amino-2,6-difluoro-N-piperidin-1-ylbenzamide
CID 83012407
3-amino-2-methyl-N-piperidin-1-ylbenzamide
CID 83012797
3-amino-N-(1-amino-1-oxopropan-2-yl)-5-fluoro-4-methylbenzamide
CID 60860693
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The IUPAC name of 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide (CID 83013511) is 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide is Cc1c(N)cc(C(=O)NN2CCCCC2)cc1F.
What is the InChIKey of 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
The InChIKey is GCJYOAREHOIFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-9-11(14)7-10(8-12(9)15)13(18)16-17-5-3-2-4-6-17/h7-8H,2-6,15H2,1H3,(H,16,18).
What are the key properties of 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide?
3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-4-methyl-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 83013511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).