3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide

C15H22FN3O — CID 89112791

IUPAC3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide
SMILESCc1cc(N)c(F)cc1C1CCN(CCC(N)=O)CC1
InChIInChI=1S/C15H22FN3O/c1-10-8-14(17)13(16)9-12(10)11-2-5-19(6-3-11)7-4-15(18)20/h8-9,11H,2-7,17H2,1H3,(H2,18,20)
InChIKeyVOTZUAGDMWWGGU-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.77
Rot. Bonds4

About 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide

3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide (PubChem CID 89112791) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide
PubChem CID89112791
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide
SMILESCc1cc(N)c(F)cc1C1CCN(CCC(N)=O)CC1
InChIInChI=1S/C15H22FN3O/c1-10-8-14(17)13(16)9-12(10)11-2-5-19(6-3-11)7-4-15(18)20/h8-9,11H,2-7,17H2,1H3,(H2,18,20)
InChIKeyVOTZUAGDMWWGGU-UHFFFAOYSA-N
XLogP1.77
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide?
The IUPAC name of 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide (CID 89112791) is 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide.
What is the SMILES notation for 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide?
The canonical SMILES for 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide is Cc1cc(N)c(F)cc1C1CCN(CCC(N)=O)CC1.
What is the InChIKey of 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide?
The InChIKey is VOTZUAGDMWWGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-10-8-14(17)13(16)9-12(10)11-2-5-19(6-3-11)7-4-15(18)20/h8-9,11H,2-7,17H2,1H3,(H2,18,20).
What are the key properties of 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide?
3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide has a molecular weight of 279.36 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-amino-5-fluoro-2-methylphenyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 89112791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).