4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one

C17H19F4N3O2 — CID 126899694

IUPAC4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C17H19F4N3O2/c18-8-11-7-15(25)24(10-11)13-3-5-23(6-4-13)16(26)12-1-2-14(22-9-12)17(19,20)21/h1-2,9,11,13H,3-8,10H2
InChIKeyXXHHGGSVSKISJT-UHFFFAOYSA-N
MW373.35 g/mol
LogP2.52
Rot. Bonds3

About 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one

4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 126899694) has the molecular formula C17H19F4N3O2 and a molecular weight of 373.35 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID126899694
Molecular FormulaC17H19F4N3O2
Molecular Weight373.35 g/mol
Exact Mass373.14
IUPAC Name4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one
SMILESO=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CC(CF)CC2=O)CC1
InChIInChI=1S/C17H19F4N3O2/c18-8-11-7-15(25)24(10-11)13-3-5-23(6-4-13)16(26)12-1-2-14(22-9-12)17(19,20)21/h1-2,9,11,13H,3-8,10H2
InChIKeyXXHHGGSVSKISJT-UHFFFAOYSA-N
XLogP2.52
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminopiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119375608
(4-hydroxypiperidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 43424156
[4-(aminomethyl)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119423684
3-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]cyclobutan-1-one
CID 138978128
(3-hydroxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 62917121
[3-(methylamino)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119413882
1-[1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945176
[3-(4-bromopyrazol-1-yl)pyrrolidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 126946750
phenyl-[4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 33497333
[3-(methylamino)piperidin-1-yl]-[6-(trifluoromethyl)-3-pyridinyl]methanone;dihydrochloride
CID 119491784
(4-methoxyphenyl)-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]methanone
CID 24688123
(3-pyrimidin-2-yloxypyrrolidin-1-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 122243290

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one (CID 126899694) is 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one is O=C(c1ccc(C(F)(F)F)nc1)N1CCC(N2CC(CF)CC2=O)CC1.
What is the InChIKey of 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is XXHHGGSVSKISJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F4N3O2/c18-8-11-7-15(25)24(10-11)13-3-5-23(6-4-13)16(26)12-1-2-14(22-9-12)17(19,20)21/h1-2,9,11,13H,3-8,10H2.
What are the key properties of 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one?
4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 373.35 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-[1-[6-(trifluoromethyl)pyridine-3-carbonyl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 126899694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).