2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide

C15H22FN3O — CID 107162857

IUPAC2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H22FN3O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyMYTDXSBMXWSXIK-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.87
Rot. Bonds3

About 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide

2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide (PubChem CID 107162857) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
PubChem CID107162857
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
SMILESCN1CCC(C)(CNC(=O)c2cc(F)ccc2N)CC1
InChIInChI=1S/C15H22FN3O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10,17H2,1-2H3,(H,18,20)
InChIKeyMYTDXSBMXWSXIK-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide
CID 107162855
5-amino-2-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162859
2-amino-5-fluoro-N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]benzamide
CID 65117687
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-methoxybenzamide
CID 107163921
5-fluoro-2-hydroxy-N-[(1-methylcyclopropyl)methyl]benzamide
CID 103739179
2-amino-5-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514864
3-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 107162900
3-amino-5-bromo-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162922
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-methylbenzamide
CID 107162850
2-amino-4,5-difluoro-N-[(1-methylcyclobutyl)methyl]benzamide
CID 114107072

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The IUPAC name of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide (CID 107162857) is 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide.
What is the SMILES notation for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The canonical SMILES for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide is CN1CCC(C)(CNC(=O)c2cc(F)ccc2N)CC1.
What is the InChIKey of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
The InChIKey is MYTDXSBMXWSXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-15(5-7-19(2)8-6-15)10-18-14(20)12-9-11(16)3-4-13(12)17/h3-4,9H,5-8,10,17H2,1-2H3,(H,18,20).
What are the key properties of 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide?
2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide has a molecular weight of 279.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-5-fluorobenzamide is sourced from PubChem (CID 107162857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).