2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride

C22H26ClF3N2O — CID 159401887

IUPAC2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1.Cl
InChIInChI=1S/C22H25F3N2O.ClH/c1-3-16-14-18(22(23,24)25)10-11-19(16)20(28)26-21(12-7-13-27(2)15-21)17-8-5-4-6-9-17;/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28);1H/t21-;/m0./s1
InChIKeyXBEUGGNABVFMGI-BOXHHOBZSA-N
MW426.91 g/mol
LogP5.04
Rot. Bonds4

About 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride

2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 159401887) has the molecular formula C22H26ClF3N2O and a molecular weight of 426.91 g/mol. Its IUPAC name is 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride
PubChem CID159401887
Molecular FormulaC22H26ClF3N2O
Molecular Weight426.91 g/mol
Exact Mass426.17
IUPAC Name2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1.Cl
InChIInChI=1S/C22H25F3N2O.ClH/c1-3-16-14-18(22(23,24)25)10-11-19(16)20(28)26-21(12-7-13-27(2)15-21)17-8-5-4-6-9-17;/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28);1H/t21-;/m0./s1
InChIKeyXBEUGGNABVFMGI-BOXHHOBZSA-N
XLogP5.04
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.91
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 46849256
2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
CID 59438409
2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 161143167
2-ethyl-N-[(1R,2R,5S)-8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl]-4-(trifluoromethyl)benzamide
CID 58565901
2-methoxy-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46850264
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
2-ethyl-N-[(1R,2S)-2-pyrrolidin-1-ylcyclohexyl]-4-(trifluoromethyl)benzamide
CID 51001073
N-[3-(3,4-difluorophenyl)-1-methylpiperidin-3-yl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46848417
1-methyl-3-[3-(trifluoromethyl)phenyl]piperidin-3-amine
CID 59438498
2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide;3-(4-methoxyphenyl)-1-methylpiperidin-3-amine
CID 160706531
2-ethyl-6-methoxy-N-(8-methyl-2-phenyl-8-azabicyclo[3.2.1]octan-2-yl)-4-(trifluoromethyl)benzamide
CID 54767779
5-amino-2-methyl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]benzamide
CID 120636519

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride (CID 159401887) is 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride is CCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1.Cl.
What is the InChIKey of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is XBEUGGNABVFMGI-BOXHHOBZSA-N. The full InChI is InChI=1S/C22H25F3N2O.ClH/c1-3-16-14-18(22(23,24)25)10-11-19(16)20(28)26-21(12-7-13-27(2)15-21)17-8-5-4-6-9-17;/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28);1H/t21-;/m0./s1.
What are the key properties of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride?
2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 426.91 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 159401887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).