2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide

C22H25F3N2O2 — CID 59438409

IUPAC2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H25F3N2O2/c1-3-29-19-14-17(22(23,24)25)10-11-18(19)20(28)26-21(12-7-13-27(2)15-21)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28)
InChIKeyPHLWDZPDAWONKI-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.45
Rot. Bonds5

About 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide

2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 59438409) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
PubChem CID59438409
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide
SMILESCCOc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1
InChIInChI=1S/C22H25F3N2O2/c1-3-29-19-14-17(22(23,24)25)10-11-18(19)20(28)26-21(12-7-13-27(2)15-21)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28)
InChIKeyPHLWDZPDAWONKI-UHFFFAOYSA-N
XLogP4.45
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 46849256
2-ethyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 159401887
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-methoxy-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46850264
2-methoxy-N-[3-(4-methoxyphenyl)-1-methylpiperidin-3-yl]-6-methylsulfanyl-4-(trifluoromethyl)benzamide;3-(4-methoxyphenyl)-1-methylpiperidin-3-amine
CID 160706531
N-[3-(3,4-difluorophenyl)-1-methylpiperidin-3-yl]-2-methoxy-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 46848417
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
2-methoxy-N-[1-(oxan-4-yl)-3-phenylpiperidin-3-yl]-4,6-bis(trifluoromethyl)benzamide;oxan-4-one
CID 159807035
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-6-methylsulfanyl-N-[1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-3-yl]-4-(trifluoromethyl)benzamide;1-methyl-3-[3-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 159269342
N-(4-benzamido-2,5-diethoxyphenyl)-3-(trifluoromethyl)benzamide
CID 2128081
(1-methyl-3-phenylpiperidin-3-yl)methyl N-(2-ethoxyphenyl)carbamate
CID 117068019

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide (CID 59438409) is 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide is CCOc1cc(C(F)(F)F)ccc1C(=O)NC1(c2ccccc2)CCCN(C)C1.
What is the InChIKey of 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
The InChIKey is PHLWDZPDAWONKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-3-29-19-14-17(22(23,24)25)10-11-18(19)20(28)26-21(12-7-13-27(2)15-21)16-8-5-4-6-9-16/h4-6,8-11,14H,3,7,12-13,15H2,1-2H3,(H,26,28).
What are the key properties of 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide?
2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 406.45 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 59438409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).