2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide

C21H35F3N2O5 — CID 164604142

IUPAC2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCOCC1
InChIInChI=1S/C21H35F3N2O5/c1-14(2)19(27)25-18(15(3)30-12-16-6-9-29-10-7-16)20(28)26-8-4-5-17(11-26)13-31-21(22,23)24/h14-18H,4-13H2,1-3H3,(H,25,27)
InChIKeyLGPIZVFGFCUMGQ-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.73
Rot. Bonds9

About 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide

2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide (PubChem CID 164604142) has the molecular formula C21H35F3N2O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
PubChem CID164604142
Molecular FormulaC21H35F3N2O5
Molecular Weight452.51 g/mol
Exact Mass452.25
IUPAC Name2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
SMILESCC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCOCC1
InChIInChI=1S/C21H35F3N2O5/c1-14(2)19(27)25-18(15(3)30-12-16-6-9-29-10-7-16)20(28)26-8-4-5-17(11-26)13-31-21(22,23)24/h14-18H,4-13H2,1-3H3,(H,25,27)
InChIKeyLGPIZVFGFCUMGQ-UHFFFAOYSA-N
XLogP2.73
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide;ethane
CID 164603899
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164603900
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-oxobutan-2-yl]acetamide
CID 164604383
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide
CID 164604744
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
CID 164604854
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 164605028
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide
CID 170755478
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
CID 170755531
N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide
CID 170757775
N-[3-(cyclohexylmethoxy)-1-(4,4-difluoropiperidin-1-yl)-1-oxobutan-2-yl]-2-methylpropanamide
CID 170757786

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide?
The IUPAC name of 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide (CID 164604142) is 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide?
The canonical SMILES for 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide is CC(C)C(=O)NC(C(=O)N1CCCC(COC(F)(F)F)C1)C(C)OCC1CCOCC1.
What is the InChIKey of 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide?
The InChIKey is LGPIZVFGFCUMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35F3N2O5/c1-14(2)19(27)25-18(15(3)30-12-16-6-9-29-10-7-16)20(28)26-8-4-5-17(11-26)13-31-21(22,23)24/h14-18H,4-13H2,1-3H3,(H,25,27).
What are the key properties of 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide?
2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide has a molecular weight of 452.51 g/mol, XLogP of 2.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide is sourced from PubChem (CID 164604142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).