1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C19H16F5N3O2 — CID 142445144

IUPAC1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNN1CCC(c2ccc(F)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H16F5N3O2/c20-13-6-5-10(9-14(13)21)11-7-8-27(25)18(29)16(11)17(28)26-15-4-2-1-3-12(15)19(22,23)24/h1-6,9,11,16H,7-8,25H2,(H,26,28)
InChIKeyVJRZOROUTRWKMH-UHFFFAOYSA-N
MW413.35 g/mol
LogP3.43
Rot. Bonds3

About 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 142445144) has the molecular formula C19H16F5N3O2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID142445144
Molecular FormulaC19H16F5N3O2
Molecular Weight413.35 g/mol
Exact Mass413.12
IUPAC Name1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESNN1CCC(c2ccc(F)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)C1=O
InChIInChI=1S/C19H16F5N3O2/c20-13-6-5-10(9-14(13)21)11-7-8-27(25)18(29)16(11)17(28)26-15-4-2-1-3-12(15)19(22,23)24/h1-6,9,11,16H,7-8,25H2,(H,26,28)
InChIKeyVJRZOROUTRWKMH-UHFFFAOYSA-N
XLogP3.43
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

Analyze 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide 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 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 142445144) is 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is NN1CCC(c2ccc(F)c(F)c2)C(C(=O)Nc2ccccc2C(F)(F)F)C1=O.
What is the InChIKey of 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is VJRZOROUTRWKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F5N3O2/c20-13-6-5-10(9-14(13)21)11-7-8-27(25)18(29)16(11)17(28)26-15-4-2-1-3-12(15)19(22,23)24/h1-6,9,11,16H,7-8,25H2,(H,26,28).
What are the key properties of 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 413.35 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-(3,4-difluorophenyl)-2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 142445144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).