3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

C15H20ClF3N2O — CID 119944209

IUPAC3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccccc2C(F)(F)F)CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-14(7-4-8-19-10-14)13(21)20-9-11-5-2-3-6-12(11)15(16,17)18;/h2-3,5-6,19H,4,7-10H2,1H3,(H,20,21);1H
InChIKeyOXTQUNYCVPISCA-UHFFFAOYSA-N
MW336.79 g/mol
LogP3.13
Rot. Bonds3

About 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride

3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119944209) has the molecular formula C15H20ClF3N2O and a molecular weight of 336.79 g/mol. Its IUPAC name is 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
PubChem CID119944209
Molecular FormulaC15H20ClF3N2O
Molecular Weight336.79 g/mol
Exact Mass336.12
IUPAC Name3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
SMILESCC1(C(=O)NCc2ccccc2C(F)(F)F)CCCNC1.Cl
InChIInChI=1S/C15H19F3N2O.ClH/c1-14(7-4-8-19-10-14)13(21)20-9-11-5-2-3-6-12(11)15(16,17)18;/h2-3,5-6,19H,4,7-10H2,1H3,(H,20,21);1H
InChIKeyOXTQUNYCVPISCA-UHFFFAOYSA-N
XLogP3.13
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.79
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 55176835
3-methyl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 63132643
(3R)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 92864096
N-[[2-(ethoxymethyl)phenyl]methyl]-3-methylpiperidine-3-carboxamide
CID 63130668
3-methyl-N-[[2-(3-methylpyrazol-1-yl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 86784301
4-methoxy-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119705514
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119835459
3-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxamide
CID 63141242
N-[(2-chlorophenyl)methyl]-3-methylpyrrolidine-3-carboxamide
CID 63140593
1-phenyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 3527303
3-methyl-N-(2-methyl-2-phenylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119944553

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride (CID 119944209) is 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is CC1(C(=O)NCc2ccccc2C(F)(F)F)CCCNC1.Cl.
What is the InChIKey of 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is OXTQUNYCVPISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O.ClH/c1-14(7-4-8-19-10-14)13(21)20-9-11-5-2-3-6-12(11)15(16,17)18;/h2-3,5-6,19H,4,7-10H2,1H3,(H,20,21);1H.
What are the key properties of 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride?
3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 336.79 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119944209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).