3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide

C21H24F3N3O3 — CID 56713606

IUPAC3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1
InChIInChI=1S/C21H24F3N3O3/c1-27-11-8-15(9-12-27)30-17-7-6-14(13-18(17)29-2)20(28)26-19(21(22,23)24)16-5-3-4-10-25-16/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3,(H,26,28)
InChIKeyLURCTNDLPHTZBX-UHFFFAOYSA-N
MW423.44 g/mol
LogP3.60
Rot. Bonds6

About 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide

3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide (PubChem CID 56713606) has the molecular formula C21H24F3N3O3 and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
PubChem CID56713606
Molecular FormulaC21H24F3N3O3
Molecular Weight423.44 g/mol
Exact Mass423.18
IUPAC Name3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide
SMILESCOc1cc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1
InChIInChI=1S/C21H24F3N3O3/c1-27-11-8-15(9-12-27)30-17-7-6-14(13-18(17)29-2)20(28)26-19(21(22,23)24)16-5-3-4-10-25-16/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3,(H,26,28)
InChIKeyLURCTNDLPHTZBX-UHFFFAOYSA-N
XLogP3.60
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-aminoethoxy)-4-methoxy-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 126453153
3-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 72865235
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 56703138
2-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]-2-oxoacetic acid
CID 117473278
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-[2-(pyridin-3-ylamino)ethyl]benzamide
CID 72928105
N-[2-(2-chlorophenyl)ethyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482697
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(3-pyrazol-1-ylpropyl)benzamide
CID 56852480
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 45488408
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl-[3-methoxy-4-(1-methylpiperidin-4-yl)oxyphenyl]methanone
CID 25371424
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 45201581
4-(1,2,4-triazol-4-yl)-N-[(1S)-2,2,2-trifluoro-1-pyridin-2-ylethyl]benzamide
CID 99949555
N-[(1-ethylpyrazol-4-yl)methyl]-3-methoxy-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 25482785

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?
The IUPAC name of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide (CID 56713606) is 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?
The canonical SMILES for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide is COc1cc(C(=O)NC(c2ccccn2)C(F)(F)F)ccc1OC1CCN(C)CC1.
What is the InChIKey of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?
The InChIKey is LURCTNDLPHTZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O3/c1-27-11-8-15(9-12-27)30-17-7-6-14(13-18(17)29-2)20(28)26-19(21(22,23)24)16-5-3-4-10-25-16/h3-7,10,13,15,19H,8-9,11-12H2,1-2H3,(H,26,28).
What are the key properties of 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide?
3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide has a molecular weight of 423.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1-methylpiperidin-4-yl)oxy-N-(2,2,2-trifluoro-1-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 56713606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).