5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide

C15H22FN3O — CID 103296207

IUPAC5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(N)cc(C)c2F)C1
InChIInChI=1S/C15H22FN3O/c1-3-19-6-4-5-12(9-19)18-15(20)13-8-11(17)7-10(2)14(13)16/h7-8,12H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyPSDXARMFJMRQRD-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.93
Rot. Bonds3

About 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide

5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide (PubChem CID 103296207) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
PubChem CID103296207
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide
SMILESCCN1CCCC(NC(=O)c2cc(N)cc(C)c2F)C1
InChIInChI=1S/C15H22FN3O/c1-3-19-6-4-5-12(9-19)18-15(20)13-8-11(17)7-10(2)14(13)16/h7-8,12H,3-6,9,17H2,1-2H3,(H,18,20)
InChIKeyPSDXARMFJMRQRD-UHFFFAOYSA-N
XLogP1.93
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide 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

5-amino-2-chloro-N-(1-ethylpiperidin-3-yl)benzamide
CID 61170350
4-amino-N-(1-ethylpiperidin-3-yl)-6-methylpyridine-3-carboxamide
CID 81242550
N-[(3S)-1-ethylpiperidin-3-yl]-1,2,5-trimethylpyrrole-3-carboxamide
CID 124752653
N-(1-ethylpiperidin-3-yl)-2-fluoro-5-sulfanylbenzamide
CID 107025232
N-(1-ethylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 47344801
5-amino-N-[2-(azepan-1-yl)ethyl]-2-fluoro-3-methylbenzamide
CID 103296218
5-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)-2-fluoro-3-methylbenzamide
CID 103295745
N-(1-ethylpiperidin-3-yl)-3,5-difluoro-4-(methylamino)benzamide
CID 63185168
3-bromo-N-(1-ethylpiperidin-3-yl)-5-methylbenzamide
CID 113460717
5-bromo-N-(1-ethylpiperidin-3-yl)-2-iodobenzamide
CID 113240326
5-amino-N-(1-ethylpiperidin-4-yl)-2-fluorobenzamide
CID 61138909
3-amino-2,5-difluoro-N-(1-methylpiperidin-3-yl)benzamide
CID 107120812

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The IUPAC name of 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide (CID 103296207) is 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide is CCN1CCCC(NC(=O)c2cc(N)cc(C)c2F)C1.
What is the InChIKey of 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
The InChIKey is PSDXARMFJMRQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-3-19-6-4-5-12(9-19)18-15(20)13-8-11(17)7-10(2)14(13)16/h7-8,12H,3-6,9,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide?
5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-ethylpiperidin-3-yl)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 103296207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).