2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C13H13F3N2O2 — CID 4019048

IUPAC2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-5-1-2-6-10(9)18-12(20)8-4-3-7-17-11(8)19/h1-2,5-6,8H,3-4,7H2,(H,17,19)(H,18,20)
InChIKeyXNYZGFYVHOHVDP-UHFFFAOYSA-N
MW286.25 g/mol
LogP2.17
Rot. Bonds2

About 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide

2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 4019048) has the molecular formula C13H13F3N2O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID4019048
Molecular FormulaC13H13F3N2O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESO=C1NCCCC1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C13H13F3N2O2/c14-13(15,16)9-5-1-2-6-10(9)18-12(20)8-4-3-7-17-11(8)19/h1-2,5-6,8H,3-4,7H2,(H,17,19)(H,18,20)
InChIKeyXNYZGFYVHOHVDP-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(3-Methyl-butyryl)-piperidin-4-yl]-3-(4-trifluoromethyl-phenyl)-urea
CID 24899522
1-(1-Cyclopropanecarbonylpiperidin-4-yl)-3-[4-(trifluoromethyl)phenyl]urea
CID 45889074
1-(1-(2-Methylbutyryl)piperidin-4-yl)-3-(4-(trifluoromethyl)phenyl)urea
CID 56971639
1-[4-(Trifluoromethyl)phenyl]-3-[1-[(S)-2-methylbutyryl]-4-piperidinyl]urea
CID 71680510
3-oxo-N-(2-(trifluoromethyl)phenyl)butyramide
CID 366757
1-[3-(3,4-Difluoroanilino)-3-oxopropyl]piperidine-4-carboxamide
CID 771678
3-(4-ethylpiperazin-1-yl)-N-(2-methylphenyl)propanamide
CID 772589
N-methyl-N-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]cyclopropanecarboxamide
CID 4882503
3-acetamido-N-(4-fluoro-2-methylphenyl)propanamide
CID 2438691
N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)acetamide
CID 130400672
1-[3-Oxo-3-(3-toluidino)propyl]-4-piperidinecarboxamide
CID 739961
Piperidine-3-carboxylic acid (2,6-dimethyl-phenyl)-amide
CID 652497

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 4019048) is 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is O=C1NCCCC1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is XNYZGFYVHOHVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2/c14-13(15,16)9-5-1-2-6-10(9)18-12(20)8-4-3-7-17-11(8)19/h1-2,5-6,8H,3-4,7H2,(H,17,19)(H,18,20).
What are the key properties of 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 4019048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).