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

C22H25F3N2O — CID 46849256

IUPAC2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H25F3N2O/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)/t21-/m0/s1
InChIKeyLNLGPWMZRGRNJX-NRFANRHFSA-N
MW390.45 g/mol
LogP4.62
Rot. Bonds4

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

2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 46849256) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID46849256
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H25F3N2O/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)/t21-/m0/s1
InChIKeyLNLGPWMZRGRNJX-NRFANRHFSA-N
XLogP4.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.62
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;hydrochloride
CID 159401887
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?
The IUPAC name of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide (CID 46849256) is 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide is CCc1cc(C(F)(F)F)ccc1C(=O)N[C@@]1(c2ccccc2)CCCN(C)C1.
What is the InChIKey of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is LNLGPWMZRGRNJX-NRFANRHFSA-N. The full InChI is InChI=1S/C22H25F3N2O/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)/t21-/m0/s1.
What are the key properties of 2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 390.45 g/mol, XLogP of 4.62, 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 is sourced from PubChem (CID 46849256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).