N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide

C16H24FN3O — CID 83052500

IUPACN-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
SMILESCCCC1CCCCN1CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H24FN3O/c1-2-5-13-6-3-4-9-20(13)11-16(21)19-12-7-8-14(17)15(18)10-12/h7-8,10,13H,2-6,9,11,18H2,1H3,(H,19,21)
InChIKeyKNHUUQBPUXFYSZ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.00
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide

N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide (PubChem CID 83052500) 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-propylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
PubChem CID83052500
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide
SMILESCCCC1CCCCN1CC(=O)Nc1ccc(F)c(N)c1
InChIInChI=1S/C16H24FN3O/c1-2-5-13-6-3-4-9-20(13)11-16(21)19-12-7-8-14(17)15(18)10-12/h7-8,10,13H,2-6,9,11,18H2,1H3,(H,19,21)
InChIKeyKNHUUQBPUXFYSZ-UHFFFAOYSA-N
XLogP3.00
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.00
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-(3,4-difluorophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 42999278
N-[4-(aminomethyl)phenyl]-2-(2-propylpiperidin-1-yl)acetamide
CID 83052129
N-(3,4-difluorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60684646
N-(3-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)piperidin-1-yl]propanamide
CID 61406991
N-(3-amino-4-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43611694
N-(3-aminophenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266229
N-(3-aminophenyl)-3-(2-propylpiperidin-1-yl)propanamide
CID 83052120
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 63759527
N-(3-chloro-4-fluorophenyl)-2-[(2R)-2-methylpiperidin-1-yl]acetamide
CID 2655154
N-(3-amino-4-fluorophenyl)-2-[3-(2-hydroxyethyl)piperidin-1-yl]acetamide
CID 107227198
N-(3-amino-4-fluorophenyl)-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 16779490
N-[4-(aminomethyl)phenyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 43266257

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide (CID 83052500) is N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide is CCCC1CCCCN1CC(=O)Nc1ccc(F)c(N)c1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide?
The InChIKey is KNHUUQBPUXFYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-2-5-13-6-3-4-9-20(13)11-16(21)19-12-7-8-14(17)15(18)10-12/h7-8,10,13H,2-6,9,11,18H2,1H3,(H,19,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide?
N-(3-amino-4-fluorophenyl)-2-(2-propylpiperidin-1-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 3.00, 5 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-propylpiperidin-1-yl)acetamide is sourced from PubChem (CID 83052500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).