N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide

C16H24FN3O — CID 114592180

IUPACN-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)C(C)N(CC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C16H24FN3O/c1-10-6-11(2)12(3)20(8-10)9-16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9,18H2,1-3H3,(H,19,21)
InChIKeyIDZBPEHGZWLUPJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.71
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide

N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide (PubChem CID 114592180) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
PubChem CID114592180
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
SMILESCC1CC(C)C(C)N(CC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C16H24FN3O/c1-10-6-11(2)12(3)20(8-10)9-16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9,18H2,1-3H3,(H,19,21)
InChIKeyIDZBPEHGZWLUPJ-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.71
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-(3-aminophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide
CID 114592183
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
N-(3-amino-4-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331925
N-(3-amino-4-fluorophenyl)-2-(3,5-dimethylcyclohexyl)oxyacetamide
CID 64728371
N-(3-aminophenyl)-3-(2,3,5-trimethylpiperidin-1-yl)propanamide
CID 114592196
N-(3-amino-4-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43611694
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
CID 83052500
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81097272
N-(3-amino-4-fluorophenyl)-2-(3-methyl-2-oxoimidazolidin-1-yl)acetamide
CID 62492016
N-(3-amino-4-methylphenyl)-2-(2,5-dimethylmorpholin-4-yl)acetamide
CID 43544160

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide (CID 114592180) is N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide is CC1CC(C)C(C)N(CC(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
The InChIKey is IDZBPEHGZWLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10-6-11(2)12(3)20(8-10)9-16(21)19-13-4-5-14(17)15(18)7-13/h4-5,7,10-12H,6,8-9,18H2,1-3H3,(H,19,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide?
N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(2,3,5-trimethylpiperidin-1-yl)acetamide is sourced from PubChem (CID 114592180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).