4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide

C14H17F3N2O — CID 114422580

IUPAC4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O/c1-9-6-7-18-12(8-9)13(20)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H,19,20)
InChIKeyQXPFMUPWHIXFKV-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.03
Rot. Bonds2

About 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide

4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 114422580) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID114422580
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCC1CCNC(C(=O)Nc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O/c1-9-6-7-18-12(8-9)13(20)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H,19,20)
InChIKeyQXPFMUPWHIXFKV-UHFFFAOYSA-N
XLogP3.03
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methoxy-N-[2-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 61215179
5-methyl-N-[2-(trifluoromethyl)phenyl]piperazine-2-carboxamide
CID 63102747
N-(2-chloro-3-pyridinyl)-4-methylpiperidine-2-carboxamide
CID 114423016
3-[[2-(trifluoromethyl)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103549795
N-[(2-ethylphenyl)methyl]-4-methylpiperidine-2-carboxamide
CID 114424125
N-(1H-indazol-4-yl)-4-methylpiperidine-2-carboxamide
CID 114423269
N-(4-bromo-2,5-difluorophenyl)-4-methylpiperidine-2-carboxamide
CID 107611804
1-(3-methylcyclohexyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 47031918
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
4-methyl-N-[3-(trifluoromethoxy)phenyl]piperidine-2-carboxamide
CID 114422692
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
5-(2-chlorophenyl)-N-[2-(trifluoromethyl)phenyl]pyrazolidine-3-carboxamide
CID 75254792

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 114422580) is 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide is CC1CCNC(C(=O)Nc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is QXPFMUPWHIXFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-9-6-7-18-12(8-9)13(20)19-11-5-3-2-4-10(11)14(15,16)17/h2-5,9,12,18H,6-8H2,1H3,(H,19,20).
What are the key properties of 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 114422580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).