N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide

C19H29F5N2O4 — CID 164604109

IUPACN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(OC(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C19H29F5N2O4/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)30-19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27)
InChIKeyRWKWQHHZMGYIDA-UHFFFAOYSA-N
MW444.44 g/mol
LogP3.25
Rot. Bonds7

About N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide

N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide (PubChem CID 164604109) has the molecular formula C19H29F5N2O4 and a molecular weight of 444.44 g/mol. Its IUPAC name is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide.

Molecular Properties

Compound NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
PubChem CID164604109
Molecular FormulaC19H29F5N2O4
Molecular Weight444.44 g/mol
Exact Mass444.20
IUPAC NameN-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide
SMILESCC(=O)NC(C(=O)N1CCC(OC(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1
InChIInChI=1S/C19H29F5N2O4/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)30-19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27)
InChIKeyRWKWQHHZMGYIDA-UHFFFAOYSA-N
XLogP3.25
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[2-[3-fluoro-5-(trifluoromethyl)cyclohexyl]oxyethyl]-4-methyl-2-(methylamino)pentanamide
CID 118349035
1-[3-Amino-2-[(4-propan-2-ylcyclohexyl)oxymethyl]piperidin-1-yl]-2,2,3,3,4,4,4-heptafluorobutan-1-one
CID 162606109
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-(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
3-[[2-Acetamido-3-(cyclohexylmethoxy)butanoyl]amino]-2,2-difluoropropanoic acid
CID 164604393
(2S,3R)-2-amino-3-[(4,4-difluorocyclohexyl)methoxy]-1-morpholin-4-ylbutan-1-one
CID 164604473
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide?
The IUPAC name of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide (CID 164604109) is N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide.
What is the SMILES notation for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide?
The canonical SMILES for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide is CC(=O)NC(C(=O)N1CCC(OC(F)(F)F)CC1)C(C)OCC1CCC(F)(F)CC1.
What is the InChIKey of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide?
The InChIKey is RWKWQHHZMGYIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F5N2O4/c1-12(29-11-14-3-7-18(20,21)8-4-14)16(25-13(2)27)17(28)26-9-5-15(6-10-26)30-19(22,23)24/h12,14-16H,3-11H2,1-2H3,(H,25,27).
What are the key properties of N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide?
N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide has a molecular weight of 444.44 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4,4-difluorocyclohexyl)methoxy]-1-oxo-1-[4-(trifluoromethoxy)piperidin-1-yl]butan-2-yl]acetamide is sourced from PubChem (CID 164604109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).