1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one

C15H18F3N3O3S — CID 167979359

IUPAC1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H18F3N3O3S/c16-15(17,18)11-3-4-13(19-10-11)25(23,24)20-8-5-12(6-9-20)21-7-1-2-14(21)22/h3-4,10,12H,1-2,5-9H2
InChIKeyWVRBSIMAXPZZKZ-UHFFFAOYSA-N
MW377.39 g/mol
LogP1.88
Rot. Bonds3

About 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 167979359) has the molecular formula C15H18F3N3O3S and a molecular weight of 377.39 g/mol. Its IUPAC name is 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID167979359
Molecular FormulaC15H18F3N3O3S
Molecular Weight377.39 g/mol
Exact Mass377.10
IUPAC Name1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C1CCCN1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C15H18F3N3O3S/c16-15(17,18)11-3-4-13(19-10-11)25(23,24)20-8-5-12(6-9-20)21-7-1-2-14(21)22/h3-4,10,12H,1-2,5-9H2
InChIKeyWVRBSIMAXPZZKZ-UHFFFAOYSA-N
XLogP1.88
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1,4,7-dioxazonane
CID 166283904
8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-8-azaspiro[4.5]decane
CID 166281994
1-[1-[2-chloro-4-(trifluoromethyl)phenyl]sulfonylpiperidin-3-yl]pyrrolidin-2-one
CID 46853680
7,8-dichloro-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4-dihydro-1H-isoquinoline
CID 166317926
2-[3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 167987064
1-[1-(2-aminophenyl)sulfonylazepan-4-yl]pyrrolidin-2-one
CID 146092548
2-[3-(4-fluorophenyl)-3-methylazetidin-1-yl]sulfonyl-5-(trifluoromethyl)pyridine
CID 166317932
(7R,8aS)-7-(5-cyclopropylpyrazin-2-yl)oxy-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 71543733
3-methyl-8-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene
CID 167897899
1-[1-[3-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 56872917
1-[1-[2-[6-(trifluoromethyl)-3-pyridinyl]acetyl]piperidin-4-yl]piperidin-2-one
CID 166246481
1-(2-methylpiperidin-1-yl)-2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethanone
CID 86992922

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one (CID 167979359) is 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one is O=C1CCCN1C1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is WVRBSIMAXPZZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O3S/c16-15(17,18)11-3-4-13(19-10-11)25(23,24)20-8-5-12(6-9-20)21-7-1-2-14(21)22/h3-4,10,12H,1-2,5-9H2.
What are the key properties of 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 377.39 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 167979359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).