2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide

C20H27F3N2O5 — CID 108548679

IUPAC2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H27F3N2O5/c1-4-28-15-11-13(12-16(29-5-2)17(15)30-6-3)18(26)25-9-7-14(8-10-25)24-19(27)20(21,22)23/h11-12,14H,4-10H2,1-3H3,(H,24,27)
InChIKeyARNSGHAMNXHRTC-UHFFFAOYSA-N
MW432.44 g/mol
LogP3.17
Rot. Bonds8

About 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide

2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide (PubChem CID 108548679) has the molecular formula C20H27F3N2O5 and a molecular weight of 432.44 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
PubChem CID108548679
Molecular FormulaC20H27F3N2O5
Molecular Weight432.44 g/mol
Exact Mass432.19
IUPAC Name2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
SMILESCCOc1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc(OCC)c1OCC
InChIInChI=1S/C20H27F3N2O5/c1-4-28-15-11-13(12-16(29-5-2)17(15)30-6-3)18(26)25-9-7-14(8-10-25)24-19(27)20(21,22)23/h11-12,14H,4-10H2,1-3H3,(H,24,27)
InChIKeyARNSGHAMNXHRTC-UHFFFAOYSA-N
XLogP3.17
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]carbamate
CID 108564110
2,2-dichloro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide
CID 108564107
1,1-dimethyl-3-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]urea
CID 108564112
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548705
[4-(methylaminomethyl)piperidin-1-yl]-(3,4,5-triethoxyphenyl)methanone;hydrochloride
CID 119543739
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2,2,2-trifluoroacetamide
CID 108548748
2-(2-ethoxyphenoxy)-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]acetamide
CID 108552674
3,4,5-triethoxy-N-[1-(pyrazine-2-carbonyl)piperidin-4-yl]benzamide
CID 108550660
cyclobutyl-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methanone
CID 56510742
(4-ethylpiperazin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 4065244
2,2,2-trifluoro-N-[1-(3-fluorobenzoyl)piperidin-4-yl]acetamide
CID 108548760
1-[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]butan-1-one
CID 108567965

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide (CID 108548679) is 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide is CCOc1cc(C(=O)N2CCC(NC(=O)C(F)(F)F)CC2)cc(OCC)c1OCC.
What is the InChIKey of 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
The InChIKey is ARNSGHAMNXHRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O5/c1-4-28-15-11-13(12-16(29-5-2)17(15)30-6-3)18(26)25-9-7-14(8-10-25)24-19(27)20(21,22)23/h11-12,14H,4-10H2,1-3H3,(H,24,27).
What are the key properties of 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide?
2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide has a molecular weight of 432.44 g/mol, XLogP of 3.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[1-(3,4,5-triethoxybenzoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 108548679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).