2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

C21H22F5N3O — CID 164626356

IUPAC2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H22F5N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
InChIKeyNWFBPKBPOKYCMH-UHFFFAOYSA-N
MW427.42 g/mol
LogP4.47
Rot. Bonds5

About 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide

2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 164626356) has the molecular formula C21H22F5N3O and a molecular weight of 427.42 g/mol. Its IUPAC name is 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID164626356
Molecular FormulaC21H22F5N3O
Molecular Weight427.42 g/mol
Exact Mass427.17
IUPAC Name2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)cc(F)c2)CC1
InChIInChI=1S/C21H22F5N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30)
InChIKeyNWFBPKBPOKYCMH-UHFFFAOYSA-N
XLogP4.47
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 164626356) is 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2cc(F)cc(F)c2)CC1.
What is the InChIKey of 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is NWFBPKBPOKYCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F5N3O/c1-13-4-6-29(7-5-13)20-15(2-3-18(28-20)21(24,25)26)12-27-19(30)10-14-8-16(22)11-17(23)9-14/h2-3,8-9,11,13H,4-7,10,12H2,1H3,(H,27,30).
What are the key properties of 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 427.42 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 164626356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).