N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide

C15H22FN3O — CID 16779221

IUPACN-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H22FN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-14-9-12(17)6-7-13(14)16/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyNRPDGZGVVVNTOZ-UHFFFAOYSA-N
MW279.36 g/mol
LogP2.61
Rot. Bonds3

About N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide (PubChem CID 16779221) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
PubChem CID16779221
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
SMILESCC1CCCCN1C(C)C(=O)Nc1cc(N)ccc1F
InChIInChI=1S/C15H22FN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-14-9-12(17)6-7-13(14)16/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20)
InChIKeyNRPDGZGVVVNTOZ-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
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

N-(5-amino-2-fluorophenyl)-2-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188944
N-(5-amino-2-fluorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66391278
N-(5-amino-2-fluorophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16786188
N-(3-amino-4-chlorophenyl)-2-(2-methylpiperidin-1-yl)propanamide
CID 16779003
N-(5-amino-2-fluorophenyl)-2-[3-(methoxymethyl)pyrrolidin-1-yl]propanamide
CID 64569430
N-(5-amino-2-fluorophenyl)-2-cyclobutyloxypropanamide
CID 62116142
1-(5-amino-2-fluorophenyl)-3-cyclohexylurea
CID 16777424
N-(5-amino-2-fluorophenyl)-2-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103355524
N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124049
(2R)-2-[(2R)-2-methylpiperidin-1-yl]propanehydrazide
CID 124835817
N-(5-amino-2-fluorophenyl)-2-methylsulfanylpropanamide
CID 61024784
N-(2-amino-5-chlorophenyl)-2-(2-ethylpiperidin-1-yl)propanamide
CID 43266191

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide (CID 16779221) is N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide is CC1CCCCN1C(C)C(=O)Nc1cc(N)ccc1F.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
The InChIKey is NRPDGZGVVVNTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-5-3-4-8-19(10)11(2)15(20)18-14-9-12(17)6-7-13(14)16/h6-7,9-11H,3-5,8,17H2,1-2H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide has a molecular weight of 279.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-(2-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16779221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).