N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide

C15H22FN3O2 — CID 102956413

IUPACN-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O2/c1-21-12-3-2-7-19(10-12)8-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyXNTABFGQCNPRQG-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.85
Rot. Bonds5

About N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide (PubChem CID 102956413) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
PubChem CID102956413
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide
SMILESCOC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1
InChIInChI=1S/C15H22FN3O2/c1-21-12-3-2-7-19(10-12)8-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20)
InChIKeyXNTABFGQCNPRQG-UHFFFAOYSA-N
XLogP1.85
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-amino-4-fluorophenyl)-4-(3-methoxypyrrolidin-1-yl)butanamide
CID 103530777
N-(3-amino-4-fluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 16779380
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-[3-(aminomethyl)phenyl]-3-(3-methoxypiperidin-1-yl)propanamide
CID 102956603
N-(3-amino-4-fluorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16778601
N-(3-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956361
N-(3,4-difluorophenyl)-3-(3-methylpiperidin-1-yl)propanamide
CID 3145276
N-(3-amino-4-fluorophenyl)-3-cyclohexyloxypropanamide
CID 16787247
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(3-acetamidophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124730854
N-(2-amino-4-chlorophenyl)-2-(3-methoxypiperidin-1-yl)acetamide
CID 102956460
N-(4-carbamothioylphenyl)-3-(3-methoxypyrrolidin-1-yl)propanamide
CID 103533739

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide (CID 102956413) is N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide is COC1CCCN(CCC(=O)Nc2ccc(F)c(N)c2)C1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide?
The InChIKey is XNTABFGQCNPRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-21-12-3-2-7-19(10-12)8-6-15(20)18-11-4-5-13(16)14(17)9-11/h4-5,9,12H,2-3,6-8,10,17H2,1H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-3-(3-methoxypiperidin-1-yl)propanamide is sourced from PubChem (CID 102956413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).