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

CID 24899522
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CID 45889074
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CID 56971639
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CID 71680510
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CID 366757
CID 366757
CID 771678
CID 771678
CID 772589
CID 772589
CID 4882503
CID 4882503
CID 2438691
CID 2438691
CID 130400672
CID 130400672
CID 739961
CID 739961
CID 652497
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).