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

C21H23ClF3N3O — CID 164628300

IUPAC2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClF3N3O/c1-14-8-10-28(11-9-14)20-16(6-7-18(27-20)21(23,24)25)13-26-19(29)12-15-4-2-3-5-17(15)22/h2-7,14H,8-13H2,1H3,(H,26,29)
InChIKeyWDKUMDGQNWQCDA-UHFFFAOYSA-N
MW425.88 g/mol
LogP4.85
Rot. Bonds5

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

2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (PubChem CID 164628300) has the molecular formula C21H23ClF3N3O and a molecular weight of 425.88 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
PubChem CID164628300
Molecular FormulaC21H23ClF3N3O
Molecular Weight425.88 g/mol
Exact Mass425.15
IUPAC Name2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide
SMILESCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C21H23ClF3N3O/c1-14-8-10-28(11-9-14)20-16(6-7-18(27-20)21(23,24)25)13-26-19(29)12-15-4-2-3-5-17(15)22/h2-7,14H,8-13H2,1H3,(H,26,29)
InChIKeyWDKUMDGQNWQCDA-UHFFFAOYSA-N
XLogP4.85
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.88
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide (CID 164628300) is 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is CC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
The InChIKey is WDKUMDGQNWQCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClF3N3O/c1-14-8-10-28(11-9-14)20-16(6-7-18(27-20)21(23,24)25)13-26-19(29)12-15-4-2-3-5-17(15)22/h2-7,14H,8-13H2,1H3,(H,26,29).
What are the key properties of 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide?
2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide has a molecular weight of 425.88 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[[2-(4-methylpiperidin-1-yl)-6-(trifluoromethyl)-3-pyridinyl]methyl]acetamide is sourced from PubChem (CID 164628300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).