N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide

C14H17F3N2O — CID 119333866

IUPACN-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CC(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-10-2-1-3-12(8-10)19-13(20)11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,9H2,(H,19,20)
InChIKeyNOXCYNSITIFWPF-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.73
Rot. Bonds3

About N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide

N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide (PubChem CID 119333866) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
PubChem CID119333866
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC NameN-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(CC(F)(F)F)c1)C1CCNCC1
InChIInChI=1S/C14H17F3N2O/c15-14(16,17)9-10-2-1-3-12(8-10)19-13(20)11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,9H2,(H,19,20)
InChIKeyNOXCYNSITIFWPF-UHFFFAOYSA-N
XLogP2.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-(piperidine-4-carbonylamino)phenyl]propanoic acid
CID 115339856
N-[3-(diethylaminomethyl)phenyl]piperidine-4-carboxamide
CID 43711978
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[3-(cyclohexylsulfinylmethyl)phenyl]piperidine-4-carboxamide
CID 119327208
N-[3-(propanoylamino)phenyl]piperidine-4-carboxamide
CID 54794417
N-[3-(difluoromethyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119314349
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
N-[3-(2-methoxypropanoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
CID 119305159
N-[3-(diethylaminomethyl)phenyl]pyrrolidine-3-carboxamide
CID 63005422
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
N-[3-(hexanoylamino)phenyl]piperidine-4-carboxamide
CID 54794464
2-amino-N-[3-(2,2,2-trifluoroethyl)phenyl]acetamide
CID 119333864

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide (CID 119333866) is N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(CC(F)(F)F)c1)C1CCNCC1.
What is the InChIKey of N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NOXCYNSITIFWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c15-14(16,17)9-10-2-1-3-12(8-10)19-13(20)11-4-6-18-7-5-11/h1-3,8,11,18H,4-7,9H2,(H,19,20).
What are the key properties of N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide?
N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,2,2-trifluoroethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 119333866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).