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

C15H22FN3O2 — CID 102955989

IUPACN-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)cc2N)CC1O
InChIInChI=1S/C15H22FN3O2/c1-10-4-6-19(9-14(10)20)7-5-15(21)18-13-3-2-11(16)8-12(13)17/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyWEBSCAKMNNOHMW-UHFFFAOYSA-N
MW295.36 g/mol
LogP1.44
Rot. Bonds4

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

N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (PubChem CID 102955989) has the molecular formula C15H22FN3O2 and a molecular weight of 295.36 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
PubChem CID102955989
Molecular FormulaC15H22FN3O2
Molecular Weight295.36 g/mol
Exact Mass295.17
IUPAC NameN-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2ccc(F)cc2N)CC1O
InChIInChI=1S/C15H22FN3O2/c1-10-4-6-19(9-14(10)20)7-5-15(21)18-13-3-2-11(16)8-12(13)17/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21)
InChIKeyWEBSCAKMNNOHMW-UHFFFAOYSA-N
XLogP1.44
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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-(2-amino-4-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124962
N-(2-amino-4-fluorophenyl)-4-methylpentanamide
CID 28776827
N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 114681385
N-(2,5-difluorophenyl)-3-[(3R)-3-methoxypyrrolidin-1-yl]propanamide
CID 124752804
N-(2-amino-4-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
CID 61407328
N-(3-amino-4-fluorophenyl)-3-(3-hydroxypyrrolidin-1-yl)propanamide
CID 55131164
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16792068
N-(2-amino-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 16779432
N-(2-amino-4-fluorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)propanamide
CID 43619956
N-(2-aminophenyl)-3-(4-hydroxypiperidin-1-yl)propanamide
CID 16793627
3-(3-acetamidopiperidin-1-yl)-N-(2,5-difluorophenyl)propanamide
CID 91841794

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide (CID 102955989) is N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2ccc(F)cc2N)CC1O.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
The InChIKey is WEBSCAKMNNOHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O2/c1-10-4-6-19(9-14(10)20)7-5-15(21)18-13-3-2-11(16)8-12(13)17/h2-3,8,10,14,20H,4-7,9,17H2,1H3,(H,18,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide has a molecular weight of 295.36 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-3-(3-hydroxy-4-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 102955989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).