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

C14H17F3N2O — CID 110860923

IUPAC1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-19-9-3-2-4-12(19)13(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8,12H,2-4,9H2,1H3,(H,18,20)
InChIKeyKLESIZOEBMKEKQ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.13
Rot. Bonds2

About 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide

1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (PubChem CID 110860923) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
PubChem CID110860923
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
SMILESCN1CCCCC1C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H17F3N2O/c1-19-9-3-2-4-12(19)13(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8,12H,2-4,9H2,1H3,(H,18,20)
InChIKeyKLESIZOEBMKEKQ-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 110856789
(2S)-N-[4-(trifluoromethyl)phenyl]-1-[(E)-4,4,4-trifluoro-3-oxobut-1-enyl]pyrrolidine-2-carboxamide
CID 7104604
N-[4-(trifluoromethyl)phenyl]-1-(4,4,4-trifluoro-3-oxobut-1-enyl)pyrrolidine-2-carboxamide
CID 5068498
(2S)-1-[4-[(4-hydroxyphenyl)carbamoylamino]phenyl]sulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide
CID 139524558
N-(2,6-difluorophenyl)-1-methylpiperidine-2-carboxamide
CID 110865260
(2R)-N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylazepane-2-carboxamide
CID 97193200
1-propanoyl-N-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 113007799
[4-[(1-methylpyrrolidine-2-carbonyl)amino]phenyl]methyl 2-methylpropanoate
CID 171546002
1-ethylsulfonyl-N-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 17018131
N-(4-acetamidophenyl)-1-hydroxypiperidine-2-carboxamide
CID 110194301
(2R)-N-(4-hydroxy-2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide
CID 91667722
(2S)-N-(2,6-dimethylphenyl)-1-methylpiperidine-2-carboxamide;hydrochloride
CID 66586222

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide (CID 110860923) is 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is CN1CCCCC1C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is KLESIZOEBMKEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-19-9-3-2-4-12(19)13(20)18-11-7-5-10(6-8-11)14(15,16)17/h5-8,12H,2-4,9H2,1H3,(H,18,20).
What are the key properties of 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide?
1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 286.30 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-(trifluoromethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 110860923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).