2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C23H27F3N2O3 — CID 143179483

IUPAC2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc([C@H]2CCCC(C)N2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H27F3N2O3/c1-15-6-4-9-19(16-10-11-20(30-2)21(12-16)31-3)28(15)14-22(29)27-18-8-5-7-17(13-18)23(24,25)26/h5,7-8,10-13,15,19H,4,6,9,14H2,1-3H3,(H,27,29)/t15?,19-/m1/s1
InChIKeyYFMXMTMIAMLHRP-XCWJXAQQSA-N
MW436.47 g/mol
LogP5.28
Rot. Bonds6

About 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 143179483) has the molecular formula C23H27F3N2O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID143179483
Molecular FormulaC23H27F3N2O3
Molecular Weight436.47 g/mol
Exact Mass436.20
IUPAC Name2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOc1ccc([C@H]2CCCC(C)N2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC
InChIInChI=1S/C23H27F3N2O3/c1-15-6-4-9-19(16-10-11-20(30-2)21(12-16)31-3)28(15)14-22(29)27-18-8-5-7-17(13-18)23(24,25)26/h5,7-8,10-13,15,19H,4,6,9,14H2,1-3H3,(H,27,29)/t15?,19-/m1/s1
InChIKeyYFMXMTMIAMLHRP-XCWJXAQQSA-N
XLogP5.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-2-(2,6-dimethylpiperidin-1-yl)acetamide
CID 78843301
N-[2-[2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]ethyl]-N-methyl-3-(trifluoromethyl)aniline
CID 11532185
3,4-dimethoxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 678380
N-(3,4-dimethoxyphenyl)-2-[4-[4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl]piperidin-1-yl]acetamide
CID 16909653
2-[(2-methoxyphenyl)methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 108998373
2-[cycloheptyl(methyl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 16577679
3-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 4858287
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698870
2-[5-methoxy-2-[(4-methylpiperidin-1-yl)methyl]-4-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 27603366
2-[2-(3,4-dimethoxyphenyl)benzimidazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 17032986
3-(3-methylpiperidin-1-yl)-3-oxo-N-[3-(trifluoromethyl)phenyl]propanamide
CID 108952355
2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2698408

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 143179483) is 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is COc1ccc([C@H]2CCCC(C)N2CC(=O)Nc2cccc(C(F)(F)F)c2)cc1OC.
What is the InChIKey of 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YFMXMTMIAMLHRP-XCWJXAQQSA-N. The full InChI is InChI=1S/C23H27F3N2O3/c1-15-6-4-9-19(16-10-11-20(30-2)21(12-16)31-3)28(15)14-22(29)27-18-8-5-7-17(13-18)23(24,25)26/h5,7-8,10-13,15,19H,4,6,9,14H2,1-3H3,(H,27,29)/t15?,19-/m1/s1.
What are the key properties of 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 436.47 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-(3,4-dimethoxyphenyl)-6-methylpiperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 143179483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).