3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide

C22H25F3N2O4S — CID 155465313

IUPAC3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C22H25F3N2O4S/c23-22(24,25)16-31-19-9-11-20(12-10-19)32(29,30)27-14-4-7-18(15-27)26-21(28)13-8-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28)
InChIKeyCGECWCOOLHLRII-UHFFFAOYSA-N
MW470.51 g/mol
LogP3.53
Rot. Bonds8

About 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide

3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide (PubChem CID 155465313) has the molecular formula C22H25F3N2O4S and a molecular weight of 470.51 g/mol. Its IUPAC name is 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide.

Molecular Properties

Compound Name3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide
PubChem CID155465313
Molecular FormulaC22H25F3N2O4S
Molecular Weight470.51 g/mol
Exact Mass470.15
IUPAC Name3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide
SMILESO=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1
InChIInChI=1S/C22H25F3N2O4S/c23-22(24,25)16-31-19-9-11-20(12-10-19)32(29,30)27-14-4-7-18(15-27)26-21(28)13-8-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28)
InChIKeyCGECWCOOLHLRII-UHFFFAOYSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide?
The IUPAC name of 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide (CID 155465313) is 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide.
What is the SMILES notation for 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide?
The canonical SMILES for 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide is O=C(CCc1ccccc1)NC1CCCN(S(=O)(=O)c2ccc(OCC(F)(F)F)cc2)C1.
What is the InChIKey of 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide?
The InChIKey is CGECWCOOLHLRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O4S/c23-22(24,25)16-31-19-9-11-20(12-10-19)32(29,30)27-14-4-7-18(15-27)26-21(28)13-8-17-5-2-1-3-6-17/h1-3,5-6,9-12,18H,4,7-8,13-16H2,(H,26,28).
What are the key properties of 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide?
3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide has a molecular weight of 470.51 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[1-[4-(2,2,2-trifluoroethoxy)phenyl]sulfonylpiperidin-3-yl]propanamide is sourced from PubChem (CID 155465313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).