1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one

C15H21F3N4O2 — CID 129350670

IUPAC1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)10-12-19-20-14(24-12)11-4-1-2-6-21(11)8-9-22-7-3-5-13(22)23/h11H,1-10H2/t11-/m0/s1
InChIKeyROYYFJXAGUAWEO-NSHDSACASA-N
MW346.35 g/mol
LogP2.32
Rot. Bonds5

About 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 129350670) has the molecular formula C15H21F3N4O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID129350670
Molecular FormulaC15H21F3N4O2
Molecular Weight346.35 g/mol
Exact Mass346.16
IUPAC Name1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1
InChIInChI=1S/C15H21F3N4O2/c16-15(17,18)10-12-19-20-14(24-12)11-4-1-2-6-21(11)8-9-22-7-3-5-13(22)23/h11H,1-10H2/t11-/m0/s1
InChIKeyROYYFJXAGUAWEO-NSHDSACASA-N
XLogP2.32
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopropyl-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 100657842
cyclopropyl-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 100657854
1-[(2R)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657871
1-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 100657882
2,2,2-Trifluoro-1-[2-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazine-1-carbonyl]pyrrolidin-1-yl]ethanone
CID 110395602
1-[(2S)-2-(5-ethyl-1,3,4-oxadiazol-2-yl)-4,4-difluoropyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 124050979
Morpholin-4-yl-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128388421
Cyclopropyl-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 128964441
1-[2-[5-(2,2,2-Trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethanone
CID 128964442
2-Methyl-5-[[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methyl]-1,3,4-oxadiazole
CID 128970030
N-[1-oxo-1-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-2-yl]acetamide
CID 128970069
Ethyl 2-[2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 128991925

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 129350670) is 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCN1CCCC[C@H]1c1nnc(CC(F)(F)F)o1.
What is the InChIKey of 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is ROYYFJXAGUAWEO-NSHDSACASA-N. The full InChI is InChI=1S/C15H21F3N4O2/c16-15(17,18)10-12-19-20-14(24-12)11-4-1-2-6-21(11)8-9-22-7-3-5-13(22)23/h11H,1-10H2/t11-/m0/s1.
What are the key properties of 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 346.35 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2S)-2-[5-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 129350670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).