(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone

C16H20F3NO3S — CID 647008

IUPAC(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO3S/c1-2-10-24(22,23)20-8-6-12(7-9-20)15(21)13-4-3-5-14(11-13)16(17,18)19/h3-5,11-12H,2,6-10H2,1H3
InChIKeyWBBOPZVZERIPRE-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.34
Rot. Bonds5

About (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone

(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone (PubChem CID 647008) has the molecular formula C16H20F3NO3S and a molecular weight of 363.40 g/mol. Its IUPAC name is (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
PubChem CID647008
Molecular FormulaC16H20F3NO3S
Molecular Weight363.40 g/mol
Exact Mass363.11
IUPAC Name(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone
SMILESCCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F3NO3S/c1-2-10-24(22,23)20-8-6-12(7-9-20)15(21)13-4-3-5-14(11-13)16(17,18)19/h3-5,11-12H,2,6-10H2,1H3
InChIKeyWBBOPZVZERIPRE-UHFFFAOYSA-N
XLogP3.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone (CID 647008) is (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone is CCCS(=O)(=O)N1CCC(C(=O)c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
The InChIKey is WBBOPZVZERIPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3S/c1-2-10-24(22,23)20-8-6-12(7-9-20)15(21)13-4-3-5-14(11-13)16(17,18)19/h3-5,11-12H,2,6-10H2,1H3.
What are the key properties of (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone?
(1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone has a molecular weight of 363.40 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propylsulfonylpiperidin-4-yl)-[3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 647008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).