N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide

C17H22F4N2O3S — CID 25461288

IUPACN-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H22F4N2O3S/c18-15-4-1-14(2-5-15)11-22-16(24)6-3-13-7-9-23(10-8-13)27(25,26)12-17(19,20)21/h1-2,4-5,13H,3,6-12H2,(H,22,24)
InChIKeyFCGOIGNCKFALGC-UHFFFAOYSA-N
MW410.43 g/mol
LogP2.83
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide

N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 25461288) has the molecular formula C17H22F4N2O3S and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
PubChem CID25461288
Molecular FormulaC17H22F4N2O3S
Molecular Weight410.43 g/mol
Exact Mass410.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NCc1ccc(F)cc1
InChIInChI=1S/C17H22F4N2O3S/c18-15-4-1-14(2-5-15)11-22-16(24)6-3-13-7-9-23(10-8-13)27(25,26)12-17(19,20)21/h1-2,4-5,13H,3,6-12H2,(H,22,24)
InChIKeyFCGOIGNCKFALGC-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide (CID 25461288) is N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide is O=C(CCC1CCN(S(=O)(=O)CC(F)(F)F)CC1)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is FCGOIGNCKFALGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O3S/c18-15-4-1-14(2-5-15)11-22-16(24)6-3-13-7-9-23(10-8-13)27(25,26)12-17(19,20)21/h1-2,4-5,13H,3,6-12H2,(H,22,24).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide?
N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 410.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[1-(2,2,2-trifluoroethylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 25461288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).