N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide

C14H16BrF3N2O — CID 106740207

IUPACN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H16BrF3N2O/c1-8-4-9(2-3-19-8)13(21)20-12-6-10(14(16,17)18)5-11(15)7-12/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyWFZYEQAVNVOGDX-UHFFFAOYSA-N
MW365.19 g/mol
LogP3.79
Rot. Bonds2

About N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide

N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 106740207) has the molecular formula C14H16BrF3N2O and a molecular weight of 365.19 g/mol. Its IUPAC name is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID106740207
Molecular FormulaC14H16BrF3N2O
Molecular Weight365.19 g/mol
Exact Mass364.04
IUPAC NameN-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCC1CC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCN1
InChIInChI=1S/C14H16BrF3N2O/c1-8-4-9(2-3-19-8)13(21)20-12-6-10(14(16,17)18)5-11(15)7-12/h5-9,19H,2-4H2,1H3,(H,20,21)
InChIKeyWFZYEQAVNVOGDX-UHFFFAOYSA-N
XLogP3.79
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
N-[3-bromo-5-(trifluoromethyl)phenyl]pyrrolidine-2-carboxamide
CID 65490023
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 106738599
(2S,4S)-2-methyl-N-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]piperidine-4-carboxamide
CID 120639665
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738606
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-N-(5-bromo-2-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620445
(2S,4S)-2-methyl-N-[4-(3,3,3-trifluoropropyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120636884

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide (CID 106740207) is N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide is CC1CC(C(=O)Nc2cc(Br)cc(C(F)(F)F)c2)CCN1.
What is the InChIKey of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is WFZYEQAVNVOGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrF3N2O/c1-8-4-9(2-3-19-8)13(21)20-12-6-10(14(16,17)18)5-11(15)7-12/h5-9,19H,2-4H2,1H3,(H,20,21).
What are the key properties of N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide?
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 365.19 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-(trifluoromethyl)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 106740207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).