N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide

C16H24FN3O — CID 62329763

IUPACN-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(N)ccc2F)C(C)C1
InChIInChI=1S/C16H24FN3O/c1-11-5-7-20(12(2)9-11)8-6-16(21)19-15-10-13(18)3-4-14(15)17/h3-4,10-12H,5-9,18H2,1-2H3,(H,19,21)
InChIKeyBHIMQDLKLIECFO-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.86
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide (PubChem CID 62329763) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
PubChem CID62329763
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCN(CCC(=O)Nc2cc(N)ccc2F)C(C)C1
InChIInChI=1S/C16H24FN3O/c1-11-5-7-20(12(2)9-11)8-6-16(21)19-15-10-13(18)3-4-14(15)17/h3-4,10-12H,5-9,18H2,1-2H3,(H,19,21)
InChIKeyBHIMQDLKLIECFO-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.86
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-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
N-(5-amino-2-fluorophenyl)-3-(2-methyl-4-phenylpyrrolidin-1-yl)propanamide
CID 84586015
N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
CID 71923317
N-(5-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62330463
N-(5-amino-2-chlorophenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62331552
N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
CID 115683515
N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
CID 104679768
N-(5-amino-2-fluorophenyl)-3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 71923341
N-(4-amino-2-methylphenyl)-2-(2,4-dimethylpiperidin-1-yl)acetamide
CID 62345348
N-(5-amino-2-methylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54881990
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide (CID 62329763) is N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide is CC1CCN(CCC(=O)Nc2cc(N)ccc2F)C(C)C1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide?
The InChIKey is BHIMQDLKLIECFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-11-5-7-20(12(2)9-11)8-6-16(21)19-15-10-13(18)3-4-14(15)17/h3-4,10-12H,5-9,18H2,1-2H3,(H,19,21).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62329763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).