1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

C14H17F3N2O — CID 110860841

IUPAC1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-19-7-3-4-10(9-19)13(20)18-12-6-2-5-11(8-12)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,20)
InChIKeyJROFPLSCADHFDB-UHFFFAOYSA-N
MW286.30 g/mol
LogP2.99
Rot. Bonds2

About 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide

1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (PubChem CID 110860841) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
PubChem CID110860841
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
SMILESCN1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C14H17F3N2O/c1-19-7-3-4-10(9-19)13(20)18-12-6-2-5-11(8-12)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,20)
InChIKeyJROFPLSCADHFDB-UHFFFAOYSA-N
XLogP2.99
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3R)-N-(3-acetamidophenyl)-1-methylpiperidine-3-carboxamide
CID 96596050
N-[3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 874898
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-N,4-N-bis[3-(trifluoromethyl)phenyl]cyclohexane-1,4-dicarboxamide
CID 17197875
1-(4-methylpiperidin-1-yl)sulfonyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 20911382
N-(3-cyanophenyl)-1-methylpiperidine-3-carboxamide
CID 110864808
1-[(2-chlorophenyl)methyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 43919998
N-(3,4-difluorophenyl)-1-methylpiperidine-3-carboxamide
CID 110865367
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
1,1-dioxo-N-[3-(trifluoromethyl)phenyl]thiane-3-carboxamide
CID 110860856

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The IUPAC name of 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide (CID 110860841) is 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is CN1CCCC(C(=O)Nc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
The InChIKey is JROFPLSCADHFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-19-7-3-4-10(9-19)13(20)18-12-6-2-5-11(8-12)14(15,16)17/h2,5-6,8,10H,3-4,7,9H2,1H3,(H,18,20).
What are the key properties of 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide?
1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 110860841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).