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

C17H24ClF3N2O — CID 119316485

IUPACN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCCN1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-16(2,11-22-15(23)14-8-3-4-9-21-14)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10,14,21H,3-4,8-9,11H2,1-2H3,(H,22,23);1H
InChIKeyRUFQZGXBCFPFCW-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.66
Rot. Bonds4

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

N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride (PubChem CID 119316485) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
PubChem CID119316485
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC NameN-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride
SMILESCC(C)(CNC(=O)C1CCCCN1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-16(2,11-22-15(23)14-8-3-4-9-21-14)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10,14,21H,3-4,8-9,11H2,1-2H3,(H,22,23);1H
InChIKeyRUFQZGXBCFPFCW-UHFFFAOYSA-N
XLogP3.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide;hydrochloride
CID 119724295
(2S)-N-(2-methyl-2-phenylpropyl)piperidine-2-carboxamide
CID 93398876
N-[2-(3-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119314229
(2S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119679731
N-[2-(3-chlorophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 110461441
N-[2-methyl-2-(4-methylphenyl)propyl]piperidine-2-carboxamide
CID 119318660
N-[[3-(trifluoromethyl)phenyl]methyl]azepane-2-carboxamide
CID 64562207
N-[2-(4-chlorophenyl)-2-methylpropyl]piperidine-2-carboxamide
CID 119297349
(2S)-N-[3-(trifluoromethyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119671263
N-[2-(4-bromophenyl)-2-methylpropyl]pyrrolidine-2-carboxamide
CID 115159331
N-[2-methyl-2-(5-methylfuran-2-yl)propyl]piperidine-2-carboxamide
CID 115159844
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119771431

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride (CID 119316485) is N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride is CC(C)(CNC(=O)C1CCCCN1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride?
The InChIKey is RUFQZGXBCFPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-16(2,11-22-15(23)14-8-3-4-9-21-14)12-6-5-7-13(10-12)17(18,19)20;/h5-7,10,14,21H,3-4,8-9,11H2,1-2H3,(H,22,23);1H.
What are the key properties of N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride?
N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119316485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).