2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide

C13H18FN3O2 — CID 102964173

IUPAC2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
SMILESCOC1CCCN(c2cc(C(N)=O)c(N)cc2F)C1
InChIInChI=1S/C13H18FN3O2/c1-19-8-3-2-4-17(7-8)12-5-9(13(16)18)11(15)6-10(12)14/h5-6,8H,2-4,7,15H2,1H3,(H2,16,18)
InChIKeyWTVURLMMXZLBGS-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.12
Rot. Bonds3

About 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide

2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide (PubChem CID 102964173) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
PubChem CID102964173
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide
SMILESCOC1CCCN(c2cc(C(N)=O)c(N)cc2F)C1
InChIInChI=1S/C13H18FN3O2/c1-19-8-3-2-4-17(7-8)12-5-9(13(16)18)11(15)6-10(12)14/h5-6,8H,2-4,7,15H2,1H3,(H2,16,18)
InChIKeyWTVURLMMXZLBGS-UHFFFAOYSA-N
XLogP1.12
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide?
The IUPAC name of 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide (CID 102964173) is 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide.
What is the SMILES notation for 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide?
The canonical SMILES for 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide is COC1CCCN(c2cc(C(N)=O)c(N)cc2F)C1.
What is the InChIKey of 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide?
The InChIKey is WTVURLMMXZLBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-19-8-3-2-4-17(7-8)12-5-9(13(16)18)11(15)6-10(12)14/h5-6,8H,2-4,7,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide?
2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide has a molecular weight of 267.30 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-fluoro-5-(3-methoxypiperidin-1-yl)benzamide is sourced from PubChem (CID 102964173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).