N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide

C15H22FN3O — CID 104967022

IUPACN-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-14-8-12(16)6-7-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+
InChIKeyUXVKHHXJZZZWTB-PHIMTYICSA-N
MW279.36 g/mol
LogP2.61
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide

N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide (PubChem CID 104967022) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
PubChem CID104967022
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC NameN-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
SMILESC[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-14-8-12(16)6-7-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+
InChIKeyUXVKHHXJZZZWTB-PHIMTYICSA-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-(2,4-difluorophenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 22197954
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(5-amino-2-methoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 16782750
N-(3-amino-4-chlorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 30111948
2-amino-N-(2-amino-5-fluorophenyl)acetamide
CID 110477650
2-[2-(aminomethyl)-6-methylpiperidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 63555925
N-(2,5-difluorophenyl)-2-(2-methylpiperidin-1-yl)acetamide
CID 16554820
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691
N-(2-amino-5-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 43612136
N-(2-amino-5-fluorophenyl)-2-[methyl-(1-methylpiperidin-4-yl)amino]acetamide
CID 43611892
2-amino-N-(2-amino-5-fluorophenyl)acetamide;2-methylpropane
CID 142142758
N-(2-amino-5-fluorophenyl)-2-(oxan-4-ylsulfanyl)acetamide
CID 62995341

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide (CID 104967022) is N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide is C[C@@H]1CCC[C@H](C)N1CC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
The InChIKey is UXVKHHXJZZZWTB-PHIMTYICSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-4-3-5-11(2)19(10)9-15(20)18-14-8-12(16)6-7-13(14)17/h6-8,10-11H,3-5,9,17H2,1-2H3,(H,18,20)/t10-,11+.
What are the key properties of N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide?
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide 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-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide is sourced from PubChem (CID 104967022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).