(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride

C18H26ClF3N2O — CID 120639730

IUPAC(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-11(2)16(13-4-6-15(7-5-13)18(19,20)21)23-17(24)14-8-9-22-12(3)10-14;/h4-7,11-12,14,16,22H,8-10H2,1-3H3,(H,23,24);1H/t12-,14-,16?;/m0./s1
InChIKeyQIZVOFQDKCICQI-FXLXIQGASA-N
MW378.87 g/mol
LogP4.33
Rot. Bonds4

About (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120639730) has the molecular formula C18H26ClF3N2O and a molecular weight of 378.87 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
PubChem CID120639730
Molecular FormulaC18H26ClF3N2O
Molecular Weight378.87 g/mol
Exact Mass378.17
IUPAC Name(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(C)C(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-11(2)16(13-4-6-15(7-5-13)18(19,20)21)23-17(24)14-8-9-22-12(3)10-14;/h4-7,11-12,14,16,22H,8-10H2,1-3H3,(H,23,24);1H/t12-,14-,16?;/m0./s1
InChIKeyQIZVOFQDKCICQI-FXLXIQGASA-N
XLogP4.33
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.87
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
2-hydroxy-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 110016521
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
N-[(1S)-1-(4-tert-butylphenyl)-2-methylpropyl]cyclobutanecarboxamide
CID 30906945
(2S,4S)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120637835
(2S,4S)-2-methyl-N-[1-(4-pyridin-4-ylphenyl)ethyl]piperidine-4-carboxamide
CID 120638054
(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride
CID 120640865
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
2-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pyrrolidine-3-carboxamide
CID 79378638
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride (CID 120639730) is (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride is CC(C)C(NC(=O)[C@H]1CCN[C@@H](C)C1)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QIZVOFQDKCICQI-FXLXIQGASA-N. The full InChI is InChI=1S/C18H25F3N2O.ClH/c1-11(2)16(13-4-6-15(7-5-13)18(19,20)21)23-17(24)14-8-9-22-12(3)10-14;/h4-7,11-12,14,16,22H,8-10H2,1-3H3,(H,23,24);1H/t12-,14-,16?;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 378.87 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120639730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).