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

C15H22FN3O2 — CID 102956094

IUPACN-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)CC1O
InChIInChI=1S/C15H22FN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyFPVZWPIRWKWDLL-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds3

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

N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 102956094) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID102956094
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)CC1O
InChIInChI=1S/C15H22FN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21)
InChIKeyFPVZWPIRWKWDLL-UHFFFAOYSA-N
XLogP1.44
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 ≤ 51.44
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
CID 61223805
N-(3-amino-4-chlorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102955990
N-(3-amino-4-fluorophenyl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104957908
N-(4-cyanophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 103898485
N-(3-amino-4-fluorophenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81098789
N-(3-amino-2-methylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 102956099
N-(4-chlorophenyl)-2-[(3R)-3-hydroxypyrrolidin-1-yl]propanamide
CID 111332533
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
2-(3-hydroxy-4-methylpiperidin-1-yl)propanehydrazide
CID 102968624
N-(3-amino-4-fluorophenyl)-2-methoxypropanamide
CID 16793944
N-(3,4-difluorophenyl)-2-(3,5-dimethylpiperidin-1-yl)propanamide
CID 24506608
1-[1-(3,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907159

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 102956094) is N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is CC1CCN(C(C)C(=O)Nc2ccc(F)c(N)c2)CC1O.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is FPVZWPIRWKWDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-9-5-6-19(8-14(9)20)10(2)15(21)18-11-3-4-12(16)13(17)7-11/h3-4,7,9-10,14,20H,5-6,8,17H2,1-2H3,(H,18,21).
What are the key properties of N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(3-amino-4-fluorophenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 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-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 102956094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).