N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

C17H21F3N2O4 — CID 108548705

IUPACN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O4/c1-2-25-13-5-3-4-6-14(13)26-11-15(23)22-9-7-12(8-10-22)21-16(24)17(18,19)20/h3-6,12H,2,7-11H2,1H3,(H,21,24)
InChIKeyYCDUWIQUDVKYFY-UHFFFAOYSA-N
MW374.36 g/mol
LogP2.13
Rot. Bonds6

About N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 108548705) has the molecular formula C17H21F3N2O4 and a molecular weight of 374.36 g/mol. Its IUPAC name is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID108548705
Molecular FormulaC17H21F3N2O4
Molecular Weight374.36 g/mol
Exact Mass374.15
IUPAC NameN-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESCCOc1ccccc1OCC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C17H21F3N2O4/c1-2-25-13-5-3-4-6-14(13)26-11-15(23)22-9-7-12(8-10-22)21-16(24)17(18,19)20/h3-6,12H,2,7-11H2,1H3,(H,21,24)
InChIKeyYCDUWIQUDVKYFY-UHFFFAOYSA-N
XLogP2.13
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 108555092
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
(E)-N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-phenylprop-2-enamide
CID 108564948
prop-2-enyl N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]carbamate
CID 108564964
2,2,2-trifluoro-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108548756
tert-butyl N-[3-[[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919622
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550593
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-cyclopropyl-2-[4-[2-(2-ethoxyphenoxy)acetyl]piperazin-1-yl]acetamide
CID 55408712
2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108548679
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 108548705) is N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is CCOc1ccccc1OCC(=O)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is YCDUWIQUDVKYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O4/c1-2-25-13-5-3-4-6-14(13)26-11-15(23)22-9-7-12(8-10-22)21-16(24)17(18,19)20/h3-6,12H,2,7-11H2,1H3,(H,21,24).
What are the key properties of N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 374.36 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 108548705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).