N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C13H15F3N2O2 — CID 24748284

IUPACN-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-4-10(5-7-11)17-12(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,17,19)
InChIKeyOQTHPYIGRUJMPJ-UHFFFAOYSA-N
MW288.27 g/mol
LogP3.60
Rot. Bonds2

About N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 24748284) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID24748284
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1
InChIInChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-4-10(5-7-11)17-12(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,17,19)
InChIKeyOQTHPYIGRUJMPJ-UHFFFAOYSA-N
XLogP3.60
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 24748284) is N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1.
What is the InChIKey of N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is OQTHPYIGRUJMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c14-13(15,16)20-11-6-4-10(5-7-11)17-12(19)18-8-2-1-3-9-18/h4-7H,1-3,8-9H2,(H,17,19).
What are the key properties of N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 24748284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).