2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide

C20H21F3N2O3S — CID 47054359

IUPAC2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-8-6-17(7-9-18)25-12-10-16(11-13-25)24-19(26)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,24,26)
InChIKeyHVYABOIXLZNSJY-UHFFFAOYSA-N
MW426.46 g/mol
LogP3.31
Rot. Bonds5

About 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide

2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide (PubChem CID 47054359) has the molecular formula C20H21F3N2O3S and a molecular weight of 426.46 g/mol. Its IUPAC name is 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide
PubChem CID47054359
Molecular FormulaC20H21F3N2O3S
Molecular Weight426.46 g/mol
Exact Mass426.12
IUPAC Name2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide
SMILESO=C(Cc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1
InChIInChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-8-6-17(7-9-18)25-12-10-16(11-13-25)24-19(26)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,24,26)
InChIKeyHVYABOIXLZNSJY-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide (CID 47054359) is 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide is O=C(Cc1ccccc1)NC1CCN(c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide?
The InChIKey is HVYABOIXLZNSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3S/c21-20(22,23)29(27,28)18-8-6-17(7-9-18)25-12-10-16(11-13-25)24-19(26)14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,24,26).
What are the key properties of 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide?
2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide has a molecular weight of 426.46 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[1-[4-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 47054359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).