N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide

C15H20FN3O2 — CID 104679768

IUPACN-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1=O
InChIInChI=1S/C15H20FN3O2/c1-10-3-2-7-19(15(10)21)8-6-14(20)18-13-9-11(17)4-5-12(13)16/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,20)
InChIKeyNPXXTLNTHMPLFQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.00
Rot. Bonds4

About N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide

N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide (PubChem CID 104679768) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
PubChem CID104679768
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC NameN-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide
SMILESCC1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1=O
InChIInChI=1S/C15H20FN3O2/c1-10-3-2-7-19(15(10)21)8-6-14(20)18-13-9-11(17)4-5-12(13)16/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,20)
InChIKeyNPXXTLNTHMPLFQ-UHFFFAOYSA-N
XLogP2.00
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-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

Related Compounds

N-(5-amino-2-fluorophenyl)-3-(2,3-dimethylpiperidin-1-yl)propanamide
CID 62124048
N-(5-amino-2-fluorophenyl)-3-(2,4-dimethylpiperidin-1-yl)propanamide
CID 62329763
N-(5-amino-2-fluorophenyl)-3-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]propanamide
CID 102777811
N-(5-amino-2-fluorophenyl)-3-(2-methylthiomorpholin-4-yl)propanamide
CID 115683515
N-(5-amino-2-fluorophenyl)-3-(4-methyl-2-oxo-1-pyridinyl)propanamide
CID 62962290
N-(5-amino-2-fluorophenyl)-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)acetamide
CID 61238432
N-(5-amino-2-fluorophenyl)-3-[2-(4-chlorophenyl)azetidin-1-yl]propanamide
CID 71923317
N-(5-amino-2-fluorophenyl)-3-[methyl-[(3S)-1-methylpyrrolidin-3-yl]amino]propanamide
CID 129323175
N-(5-amino-2-fluorophenyl)-4-(2-oxoimidazolidin-1-yl)butanamide
CID 18071064
N-(5-amino-2-methylphenyl)-3-(2-oxopyrrolidin-1-yl)propanamide
CID 16794289
N-(5-amino-2-fluorophenyl)-3-(3-oxopiperazin-1-yl)propanamide
CID 16779095
N-(5-amino-2-fluorophenyl)-3-(6-fluoro-1-methyl-3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 71923341

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide (CID 104679768) is N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide is CC1CCCN(CCC(=O)Nc2cc(N)ccc2F)C1=O.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide?
The InChIKey is NPXXTLNTHMPLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-10-3-2-7-19(15(10)21)8-6-14(20)18-13-9-11(17)4-5-12(13)16/h4-5,9-10H,2-3,6-8,17H2,1H3,(H,18,20).
What are the key properties of N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide?
N-(5-amino-2-fluorophenyl)-3-(3-methyl-2-oxopiperidin-1-yl)propanamide has a molecular weight of 293.34 g/mol, XLogP of 2.00, 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-(3-methyl-2-oxopiperidin-1-yl)propanamide is sourced from PubChem (CID 104679768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).