2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide

C24H26F6N2O2 — CID 11755227

IUPAC2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22?/m0/s1
InChIKeyOAHRZWRIQLQPSK-AIBWNMTMSA-N
MW488.47 g/mol
LogP5.53
Rot. Bonds6

About 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide

2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide (PubChem CID 11755227) has the molecular formula C24H26F6N2O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide
PubChem CID11755227
Molecular FormulaC24H26F6N2O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC Name2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1
InChIInChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22?/m0/s1
InChIKeyOAHRZWRIQLQPSK-AIBWNMTMSA-N
XLogP5.53
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-acetamide
CID 9890435
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)urea
CID 10128131
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)propionamide
CID 10152358
2-((R)-4-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-4-(4-fluorophenyl)-2-oxoimidazolidin-1-yl)acetamide
CID 10164354
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 10288987
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)cyclopropanecarboxamide
CID 10289302
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(2-methoxyethyl)amino)acetamide
CID 22885615
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-N,N-dimethylacetamide
CID 22885702
2-(((1R,2S,3S)-3-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-2-(4-fluorophenyl)cyclopentyl)(methyl)amino)-1-morpholinoethanone
CID 22885704
1-((3S,5S)-5-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-oxo-5-phenylpyrrolidin-3-yl)piperidin-2-one
CID 44560810

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide (CID 11755227) is 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CN1CCC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1c1ccccc1.
What is the InChIKey of 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide?
The InChIKey is OAHRZWRIQLQPSK-AIBWNMTMSA-N. The full InChI is InChI=1S/C24H26F6N2O2/c1-31(2)21(33)14-32-10-6-9-20(22(32)17-7-4-3-5-8-17)34-15-16-11-18(23(25,26)27)13-19(12-16)24(28,29)30/h3-5,7-8,11-13,20,22H,6,9-10,14-15H2,1-2H3/t20-,22?/m0/s1.
What are the key properties of 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide?
2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide has a molecular weight of 488.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 11755227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).