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

C19H24F4N2O3 — CID 118409082

IUPACN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C19H24F4N2O3/c1-3-12(2)18(27)25-8-6-13(7-9-25)10-17(26)24-14-4-5-16(15(20)11-14)28-19(21,22)23/h4-5,11-13H,3,6-10H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyGBWBRIAGOMFVIA-LBPRGKRZSA-N
MW404.40 g/mol
LogP4.34
Rot. Bonds6

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

N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide (PubChem CID 118409082) has the molecular formula C19H24F4N2O3 and a molecular weight of 404.40 g/mol. Its IUPAC name is N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide
PubChem CID118409082
Molecular FormulaC19H24F4N2O3
Molecular Weight404.40 g/mol
Exact Mass404.17
IUPAC NameN-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide
SMILESCC[C@H](C)C(=O)N1CCC(CC(=O)Nc2ccc(OC(F)(F)F)c(F)c2)CC1
InChIInChI=1S/C19H24F4N2O3/c1-3-12(2)18(27)25-8-6-13(7-9-25)10-17(26)24-14-4-5-16(15(20)11-14)28-19(21,22)23/h4-5,11-13H,3,6-10H2,1-2H3,(H,24,26)/t12-/m0/s1
InChIKeyGBWBRIAGOMFVIA-LBPRGKRZSA-N
XLogP4.34
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.40
LogP ≤ 54.34
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-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide (CID 118409082) is N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide is CC[C@H](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-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide?
The InChIKey is GBWBRIAGOMFVIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H24F4N2O3/c1-3-12(2)18(27)25-8-6-13(7-9-25)10-17(26)24-14-4-5-16(15(20)11-14)28-19(21,22)23/h4-5,11-13H,3,6-10H2,1-2H3,(H,24,26)/t12-/m0/s1.
What are the key properties of N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide?
N-[3-fluoro-4-(trifluoromethoxy)phenyl]-2-[1-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide has a molecular weight of 404.40 g/mol, XLogP of 4.34, 6 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-[(2S)-2-methylbutanoyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 118409082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).