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

C23H25F3N2O4 — CID 108552674

IUPAC2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-2-31-19-5-3-4-6-20(19)32-15-21(29)27-18-11-13-28(14-12-18)22(30)16-7-9-17(10-8-16)23(24,25)26/h3-10,18H,2,11-15H2,1H3,(H,27,29)
InChIKeyLDKFBUSRFCEJBP-UHFFFAOYSA-N
MW450.46 g/mol
LogP3.90
Rot. Bonds7

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

2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (PubChem CID 108552674) has the molecular formula C23H25F3N2O4 and a molecular weight of 450.46 g/mol. Its IUPAC name is 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
PubChem CID108552674
Molecular FormulaC23H25F3N2O4
Molecular Weight450.46 g/mol
Exact Mass450.18
IUPAC Name2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
SMILESCCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C23H25F3N2O4/c1-2-31-19-5-3-4-6-20(19)32-15-21(29)27-18-11-13-28(14-12-18)22(30)16-7-9-17(10-8-16)23(24,25)26/h3-10,18H,2,11-15H2,1H3,(H,27,29)
InChIKeyLDKFBUSRFCEJBP-UHFFFAOYSA-N
XLogP3.90
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.46
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-tert-butylbenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556694
[4-[4-[[2-(2-ethoxyphenoxy)acetyl]amino]piperidine-1-carbonyl]phenyl] ethyl carbonate
CID 108930343
2-(2-ethoxyphenoxy)-N-[1-(3,4,5-trihydroxybenzoyl)piperidin-4-yl]acetamide
CID 108552625
2-(2,4-dimethylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108551120
2-(4-propylphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108553127
2-(2-ethoxyphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 86907088
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263
N-cyclohexyl-2-(2-ethoxyphenoxy)acetamide
CID 731871
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
N-[1-(2-fluorobenzoyl)piperidin-4-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 71939910
N-[1-(2-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyphenoxy)acetamide
CID 108556653

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide (CID 108552674) is 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is CCOc1ccccc1OCC(=O)NC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
The InChIKey is LDKFBUSRFCEJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O4/c1-2-31-19-5-3-4-6-20(19)32-15-21(29)27-18-11-13-28(14-12-18)22(30)16-7-9-17(10-8-16)23(24,25)26/h3-10,18H,2,11-15H2,1H3,(H,27,29).
What are the key properties of 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide?
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide has a molecular weight of 450.46 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108552674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).