4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

C15H22FN3O — CID 62682209

IUPAC4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCN2CCCCC2)cc1F
InChIInChI=1S/C15H22FN3O/c16-13-11-12(5-6-14(13)17)15(20)18-7-4-10-19-8-2-1-3-9-19/h5-6,11H,1-4,7-10,17H2,(H,18,20)
InChIKeyVNAFDIWEYYITBY-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.01
Rot. Bonds5

About 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide

4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (PubChem CID 62682209) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
PubChem CID62682209
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide
SMILESNc1ccc(C(=O)NCCCN2CCCCC2)cc1F
InChIInChI=1S/C15H22FN3O/c16-13-11-12(5-6-14(13)17)15(20)18-7-4-10-19-8-2-1-3-9-19/h5-6,11H,1-4,7-10,17H2,(H,18,20)
InChIKeyVNAFDIWEYYITBY-UHFFFAOYSA-N
XLogP2.01
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108
3,4-diamino-N-[3-(4-methylpiperazin-1-yl)propyl]benzamide
CID 18999787
4-amino-N-(3-cyclopentylpropyl)-3-fluorobenzamide
CID 106006332
4-bromo-3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 115769516
4-amino-N-(3-cyclohexyloxypropyl)-3-fluorobenzamide
CID 63188539
3-fluoro-4-methyl-N-[2-(5-pyrrolidin-1-ylpentanoylamino)ethyl]benzamide
CID 47078971
3-methyl-N-(3-piperidin-1-ylpropyl)benzamide
CID 11543475
4-amino-N-(2-cyclohexylethyl)-3-fluorobenzamide
CID 62680038
3-(3,4-difluorophenoxy)-N-(3-piperidin-1-ylpropyl)benzamide
CID 58945403
3-bromo-4-chloro-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 103841452
3,4-difluoro-N-(4-morpholin-4-ylbutyl)benzamide
CID 51082239
3,5-dibromo-N-(3-piperidin-1-ylpropyl)benzamide
CID 107980133

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide (CID 62682209) is 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide is Nc1ccc(C(=O)NCCCN2CCCCC2)cc1F.
What is the InChIKey of 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
The InChIKey is VNAFDIWEYYITBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c16-13-11-12(5-6-14(13)17)15(20)18-7-4-10-19-8-2-1-3-9-19/h5-6,11H,1-4,7-10,17H2,(H,18,20).
What are the key properties of 4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide?
4-amino-3-fluoro-N-(3-piperidin-1-ylpropyl)benzamide has a molecular weight of 279.36 g/mol, XLogP of 2.01, 5 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-(3-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 62682209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).