N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

C18H22F4N2O3 — CID 118409080

IUPACN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F4N2O3/c1-11(2)17(26)24-7-5-12(6-8-24)9-16(25)23-13-3-4-15(14(19)10-13)27-18(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H,23,25)
InChIKeyADMISGFYMIXOBJ-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.95
Rot. Bonds5

About N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide

N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (PubChem CID 118409080) has the molecular formula C18H22F4N2O3 and a molecular weight of 390.38 g/mol. Its IUPAC name is N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
PubChem CID118409080
Molecular FormulaC18H22F4N2O3
Molecular Weight390.38 g/mol
Exact Mass390.16
IUPAC NameN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide
SMILESCC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C18H22F4N2O3/c1-11(2)17(26)24-7-5-12(6-8-24)9-16(25)23-13-3-4-15(14(19)10-13)27-18(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H,23,25)
InChIKeyADMISGFYMIXOBJ-UHFFFAOYSA-N
XLogP3.95
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide (CID 118409080) is N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is CC(C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1.
What is the InChIKey of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
The InChIKey is ADMISGFYMIXOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4N2O3/c1-11(2)17(26)24-7-5-12(6-8-24)9-16(25)23-13-3-4-15(14(19)10-13)27-18(20,21)22/h3-4,10-12H,5-9H2,1-2H3,(H,23,25).
What are the key properties of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide?
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide has a molecular weight of 390.38 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-(2-methylpropanoyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 118409080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).