N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide

C23H39F3N2O5 — CID 170757775

IUPACN-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC(F)(F)F)CC2)C1
InChIInChI=1S/C23H39F3N2O5/c1-15(2)21(29)27-20(22(30)28-11-5-6-18(12-28)13-31-4)16(3)32-14-17-7-9-19(10-8-17)33-23(24,25)26/h15-20H,5-14H2,1-4H3,(H,27,29)
InChIKeyZYYCKUWHNZUPLI-UHFFFAOYSA-N
MW480.57 g/mol
LogP3.51
Rot. Bonds10

About N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide

N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide (PubChem CID 170757775) has the molecular formula C23H39F3N2O5 and a molecular weight of 480.57 g/mol. Its IUPAC name is N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide
PubChem CID170757775
Molecular FormulaC23H39F3N2O5
Molecular Weight480.57 g/mol
Exact Mass480.28
IUPAC NameN-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide
SMILESCOCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC(F)(F)F)CC2)C1
InChIInChI=1S/C23H39F3N2O5/c1-15(2)21(29)27-20(22(30)28-11-5-6-18(12-28)13-31-4)16(3)32-14-17-7-9-19(10-8-17)33-23(24,25)26/h15-20H,5-14H2,1-4H3,(H,27,29)
InChIKeyZYYCKUWHNZUPLI-UHFFFAOYSA-N
XLogP3.51
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.57
LogP ≤ 53.51
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
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-(4,4-dimethylpiperidin-1-yl)butan-1-one
CID 164604108
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
CID 164604109
N-[3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[4-(trifluoromethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604132
2-methyl-N-[3-(oxan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]propanamide
CID 164604142
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-1-oxobutan-2-yl]acetamide
CID 164604383
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
N-[3-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)-1-oxo-1-[3-(trifluoromethoxymethyl)piperidin-1-yl]butan-2-yl]acetamide
CID 164604525
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-yl-1-oxobutan-2-yl]acetamide
CID 164604550
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-1-oxobutan-2-yl]acetamide
CID 164604815
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-(4-hydroxypiperidin-1-yl)-1-oxobutan-2-yl]acetamide;ethane
CID 164604854

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide?
The IUPAC name of N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide (CID 170757775) is N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide is COCC1CCCN(C(=O)C(NC(=O)C(C)C)C(C)OCC2CCC(OC(F)(F)F)CC2)C1.
What is the InChIKey of N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide?
The InChIKey is ZYYCKUWHNZUPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39F3N2O5/c1-15(2)21(29)27-20(22(30)28-11-5-6-18(12-28)13-31-4)16(3)32-14-17-7-9-19(10-8-17)33-23(24,25)26/h15-20H,5-14H2,1-4H3,(H,27,29).
What are the key properties of N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide?
N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide has a molecular weight of 480.57 g/mol, XLogP of 3.51, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(methoxymethyl)piperidin-1-yl]-1-oxo-3-[[4-(trifluoromethoxy)cyclohexyl]methoxy]butan-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170757775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).