N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

C15H22FN3O2 — CID 81098789

IUPACN-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1CCC(C)(O)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(19-7-5-15(2,21)6-8-19)14(20)18-11-3-4-12(16)13(17)9-11/h3-4,9-10,21H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyMUHPHXFHBFZCCE-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.58
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide

N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 81098789) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID81098789
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1ccc(F)c(N)c1)N1CCC(C)(O)CC1
InChIInChI=1S/C15H22FN3O2/c1-10(19-7-5-15(2,21)6-8-19)14(20)18-11-3-4-12(16)13(17)9-11/h3-4,9-10,21H,5-8,17H2,1-2H3,(H,18,20)
InChIKeyMUHPHXFHBFZCCE-UHFFFAOYSA-N
XLogP1.58
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 51.58
H-Bond Donors ≤ 53
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)-2-(3-methylpyrrolidin-1-yl)propanamide
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CID 103355524
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 81097272
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-phenylpropanamide
CID 80702099
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956094
N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81095450
N-(3-amino-4-fluorophenyl)-2-(2,3-dihydroindol-1-yl)propanamide
CID 16792940
N-(3,4-difluorophenyl)-2-morpholin-4-ylpropanamide
CID 46630811
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3-amino-4-fluorophenyl)-2-methylbutanamide
CID 16795322
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CID 107453563

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 81098789) is N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is CC(C(=O)Nc1ccc(F)c(N)c1)N1CCC(C)(O)CC1.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is MUHPHXFHBFZCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10(19-7-5-15(2,21)6-8-19)14(20)18-11-3-4-12(16)13(17)9-11/h3-4,9-10,21H,5-8,17H2,1-2H3,(H,18,20).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 81098789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).