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

C16H19F3N2O3S — CID 47028046

IUPACN-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-4-2-1-3-13(14)21-9-7-12(8-10-21)20-15(22)11-5-6-11/h1-4,11-12H,5-10H2,(H,20,22)
InChIKeyZWIRXFFEYVHHCQ-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.48
Rot. Bonds4

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

N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 47028046) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID47028046
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC NameN-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESO=C(NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1)C1CC1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-4-2-1-3-13(14)21-9-7-12(8-10-21)20-15(22)11-5-6-11/h1-4,11-12H,5-10H2,(H,20,22)
InChIKeyZWIRXFFEYVHHCQ-UHFFFAOYSA-N
XLogP2.48
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide (CID 47028046) is N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide is O=C(NC1CCN(c2ccccc2S(=O)(=O)C(F)(F)F)CC1)C1CC1.
What is the InChIKey of N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is ZWIRXFFEYVHHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c17-16(18,19)25(23,24)14-4-2-1-3-13(14)21-9-7-12(8-10-21)20-15(22)11-5-6-11/h1-4,11-12H,5-10H2,(H,20,22).
What are the key properties of N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 376.40 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(trifluoromethylsulfonyl)phenyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 47028046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).