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

C16H24FN3O — CID 62124049

IUPACN-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)C1C
InChIInChI=1S/C16H24FN3O/c1-10-5-4-8-20(11(10)2)12(3)16(21)19-15-7-6-13(17)9-14(15)18/h6-7,9-12H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeyNDCRDRBLZGDTHL-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.86
Rot. Bonds3

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

N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide (PubChem CID 62124049) has the molecular formula C16H24FN3O and a molecular weight of 293.39 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
PubChem CID62124049
Molecular FormulaC16H24FN3O
Molecular Weight293.39 g/mol
Exact Mass293.19
IUPAC NameN-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)C1C
InChIInChI=1S/C16H24FN3O/c1-10-5-4-8-20(11(10)2)12(3)16(21)19-15-7-6-13(17)9-14(15)18/h6-7,9-12H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeyNDCRDRBLZGDTHL-UHFFFAOYSA-N
XLogP2.86
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide (CID 62124049) is N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)Nc2ccc(F)cc2N)C1C.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
The InChIKey is NDCRDRBLZGDTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O/c1-10-5-4-8-20(11(10)2)12(3)16(21)19-15-7-6-13(17)9-14(15)18/h6-7,9-12H,4-5,8,18H2,1-3H3,(H,19,21).
What are the key properties of N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide?
N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide has a molecular weight of 293.39 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 62124049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).