4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

C14H20FN3O — CID 62682426

IUPAC4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-18-6-4-10(5-7-18)9-17-14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyFEULACZNZUHWLR-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.48
Rot. Bonds3

About 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide

4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (PubChem CID 62682426) has the molecular formula C14H20FN3O and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
PubChem CID62682426
Molecular FormulaC14H20FN3O
Molecular Weight265.33 g/mol
Exact Mass265.16
IUPAC Name4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
SMILESCN1CCC(CNC(=O)c2ccc(N)c(F)c2)CC1
InChIInChI=1S/C14H20FN3O/c1-18-6-4-10(5-7-18)9-17-14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19)
InChIKeyFEULACZNZUHWLR-UHFFFAOYSA-N
XLogP1.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.48
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

4-amino-3,5-difluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63185576
4-amino-3,5-difluoro-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 63184925
4-amino-3-fluoro-N-[(4-methylmorpholin-2-yl)methyl]benzamide
CID 79078520
3-fluoro-N-[(1-methylpyrrolidin-3-yl)methyl]-4-nitrobenzamide
CID 62681454
4-hydrazinyl-3-methyl-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 63211845
N-[(1-methylpiperidin-4-yl)methyl]-4-(trifluoromethyl)benzamide
CID 16895340
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[(1-methylpiperidin-4-yl)methyl]-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104614849
4-methoxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 16895310
3-amino-N-(cyclobutylmethyl)-4-fluorobenzamide
CID 43437026
3,5-dihydroxy-N-[(1-methylpiperidin-4-yl)methyl]benzamide
CID 104938964
4-[(1-methylpyrrolidin-3-yl)methylcarbamoyl]benzoic acid
CID 54926955

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide (CID 62682426) is 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is CN1CCC(CNC(=O)c2ccc(N)c(F)c2)CC1.
What is the InChIKey of 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
The InChIKey is FEULACZNZUHWLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O/c1-18-6-4-10(5-7-18)9-17-14(19)11-2-3-13(16)12(15)8-11/h2-3,8,10H,4-7,9,16H2,1H3,(H,17,19).
What are the key properties of 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide?
4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide has a molecular weight of 265.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-[(1-methylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 62682426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).