[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

C16H19F3N2O3S — CID 128716006

IUPAC[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)13-4-2-12(3-5-13)15(22)20-9-6-14(7-10-20)21-8-1-11-25(21,23)24/h2-5,14H,1,6-11H2
InChIKeyHEQHUZRTGVEVKV-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.35
Rot. Bonds2

About [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone

[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 128716006) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID128716006
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC Name[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCS2(=O)=O)CC1
InChIInChI=1S/C16H19F3N2O3S/c17-16(18,19)13-4-2-12(3-5-13)15(22)20-9-6-14(7-10-20)21-8-1-11-25(21,23)24/h2-5,14H,1,6-11H2
InChIKeyHEQHUZRTGVEVKV-UHFFFAOYSA-N
XLogP2.35
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 128716006) is [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1)N1CCC(N2CCCS2(=O)=O)CC1.
What is the InChIKey of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is HEQHUZRTGVEVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c17-16(18,19)13-4-2-12(3-5-13)15(22)20-9-6-14(7-10-20)21-8-1-11-25(21,23)24/h2-5,14H,1,6-11H2.
What are the key properties of [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone?
[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 376.40 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 128716006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).