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

C24H27F3N2O3 — CID 108553127

IUPAC2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H27F3N2O3/c1-2-3-17-4-10-21(11-5-17)32-16-22(30)28-20-12-14-29(15-13-20)23(31)18-6-8-19(9-7-18)24(25,26)27/h4-11,20H,2-3,12-16H2,1H3,(H,28,30)
InChIKeyFFTUHOFUBFIVEZ-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.46
Rot. Bonds7

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

2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 108553127) has the molecular formula C24H27F3N2O3 and a molecular weight of 448.49 g/mol. Its IUPAC name is 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID108553127
Molecular FormulaC24H27F3N2O3
Molecular Weight448.49 g/mol
Exact Mass448.20
IUPAC Name2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1
InChIInChI=1S/C24H27F3N2O3/c1-2-3-17-4-10-21(11-5-17)32-16-22(30)28-20-12-14-29(15-13-20)23(31)18-6-8-19(9-7-18)24(25,26)27/h4-11,20H,2-3,12-16H2,1H3,(H,28,30)
InChIKeyFFTUHOFUBFIVEZ-UHFFFAOYSA-N
XLogP4.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553085
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
[3-[4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] acetate
CID 108553048
N-[1-(2-chlorobenzoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553068
butyl 4-[[2-(4-propylphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 108560933
N-[1-(4-methylbenzoyl)piperidin-4-yl]-2-[4-(4-methylphenoxy)phenoxy]acetamide
CID 75369326
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-[1-(3-phenylpropanoyl)piperidin-4-yl]-2-(4-propylphenoxy)acetamide
CID 108553098
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
2-(4-acetylphenoxy)-N-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 71933874
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556946
4-oxo-N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 108558056

Frequently Asked Questions

What is the IUPAC name of 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 108553127) is 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is CCCc1ccc(OCC(=O)NC2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is FFTUHOFUBFIVEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O3/c1-2-3-17-4-10-21(11-5-17)32-16-22(30)28-20-12-14-29(15-13-20)23(31)18-6-8-19(9-7-18)24(25,26)27/h4-11,20H,2-3,12-16H2,1H3,(H,28,30).
What are the key properties of 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 448.49 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108553127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).