2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

C23H25F3N2O3 — CID 108551120

IUPAC2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H25F3N2O3/c1-15-3-8-20(16(2)13-15)31-14-21(29)27-19-9-11-28(12-10-19)22(30)17-4-6-18(7-5-17)23(24,25)26/h3-8,13,19H,9-12,14H2,1-2H3,(H,27,29)
InChIKeyCELFMHGKVUIWEN-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.12
Rot. Bonds5

About 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide

2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 108551120) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID108551120
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Name2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)c1
InChIInChI=1S/C23H25F3N2O3/c1-15-3-8-20(16(2)13-15)31-14-21(29)27-19-9-11-28(12-10-19)22(30)17-4-6-18(7-5-17)23(24,25)26/h3-8,13,19H,9-12,14H2,1-2H3,(H,27,29)
InChIKeyCELFMHGKVUIWEN-UHFFFAOYSA-N
XLogP4.12
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
2-(2-tert-butyl-4-methylphenoxy)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]acetamide
CID 108552716
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560021
N-[1-(2-chloropropanoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108560030
4-[[2-(2,4-dimethylphenoxy)acetyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 108560027
N-[1-(4-methylbenzoyl)piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 108558531
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-(2,4-dimethylphenoxy)acetamide
CID 108551081
2-(2,4-dimethylphenoxy)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108551105
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
2-(2,4-dimethylphenoxy)-N-[1-(3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 108551090

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 108551120) is 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is Cc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is CELFMHGKVUIWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-15-3-8-20(16(2)13-15)31-14-21(29)27-19-9-11-28(12-10-19)22(30)17-4-6-18(7-5-17)23(24,25)26/h3-8,13,19H,9-12,14H2,1-2H3,(H,27,29).
What are the key properties of 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 434.46 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108551120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).