(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride

C18H26ClF3N2O — CID 120640865

IUPAC(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(C)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-11-10-14(8-9-22-11)17(24)23-13(3)12(2)15-6-4-5-7-16(15)18(19,20)21;/h4-7,11-14,22H,8-10H2,1-3H3,(H,23,24);1H/t11-,12?,13?,14-;/m0./s1
InChIKeyCGMBPOUXFVTVIK-DCAONKGYSA-N
MW378.87 g/mol
LogP4.12
Rot. Bonds4

About (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride

(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 120640865) has the molecular formula C18H26ClF3N2O and a molecular weight of 378.87 g/mol. Its IUPAC name is (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID120640865
Molecular FormulaC18H26ClF3N2O
Molecular Weight378.87 g/mol
Exact Mass378.17
IUPAC Name(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride
SMILESCC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(C)c1ccccc1C(F)(F)F.Cl
InChIInChI=1S/C18H25F3N2O.ClH/c1-11-10-14(8-9-22-11)17(24)23-13(3)12(2)15-6-4-5-7-16(15)18(19,20)21;/h4-7,11-14,22H,8-10H2,1-3H3,(H,23,24);1H/t11-,12?,13?,14-;/m0./s1
InChIKeyCGMBPOUXFVTVIK-DCAONKGYSA-N
XLogP4.12
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 ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S)-N-[1-(2-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide
CID 120641315
2-methyl-N-(1-phenylethyl)piperidine-4-carboxamide
CID 106738514
2-methyl-N-(3-methylbutan-2-yl)piperidine-4-carboxamide
CID 106738718
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
(2S,4S)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120620558
2-methyl-N-(2-methyl-1-phenylpropyl)piperidine-4-carboxamide
CID 106738958
N-(2,2-dimethyl-1-phenylpropyl)-2-methylpiperidine-4-carboxamide
CID 106738996
(2S,4S)-N-[1-(2,3-dimethylphenyl)ethyl]-2-methylpiperidine-4-carboxamide
CID 120633740
(2S,4S)-N-[2,6-di(propan-2-yl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120616178
(2S,4S)-2-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 120619247
(2S,4S)-N-[1-(4-fluorophenyl)-1-methoxypropan-2-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641101
N-[1-(furan-2-yl)propan-2-yl]-2-methylpiperidine-4-carboxamide
CID 106738994

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride (CID 120640865) is (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride is CC(NC(=O)[C@H]1CCN[C@@H](C)C1)C(C)c1ccccc1C(F)(F)F.Cl.
What is the InChIKey of (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is CGMBPOUXFVTVIK-DCAONKGYSA-N. The full InChI is InChI=1S/C18H25F3N2O.ClH/c1-11-10-14(8-9-22-11)17(24)23-13(3)12(2)15-6-4-5-7-16(15)18(19,20)21;/h4-7,11-14,22H,8-10H2,1-3H3,(H,23,24);1H/t11-,12?,13?,14-;/m0./s1.
What are the key properties of (2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride?
(2S,4S)-2-methyl-N-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 378.87 g/mol, XLogP of 4.12, 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-[3-[2-(trifluoromethyl)phenyl]butan-2-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120640865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).