1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one

C20H25F3N2O2 — CID 25477580

IUPAC1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)17-6-1-4-15(12-17)8-9-16-5-2-10-24(13-16)19(27)14-25-11-3-7-18(25)26/h1,4,6,12,16H,2-3,5,7-11,13-14H2/t16-/m1/s1
InChIKeyCXOHFBZUEFRFKU-MRXNPFEDSA-N
MW382.43 g/mol
LogP3.50
Rot. Bonds5

About 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one

1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one (PubChem CID 25477580) has the molecular formula C20H25F3N2O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
PubChem CID25477580
Molecular FormulaC20H25F3N2O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC Name1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C20H25F3N2O2/c21-20(22,23)17-6-1-4-15(12-17)8-9-16-5-2-10-24(13-16)19(27)14-25-11-3-7-18(25)26/h1,4,6,12,16H,2-3,5,7-11,13-14H2/t16-/m1/s1
InChIKeyCXOHFBZUEFRFKU-MRXNPFEDSA-N
XLogP3.50
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 42190908
1-[2-oxo-2-[(3S)-3-(2-phenylethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 42216671
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
2-amino-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethanone
CID 95550375
2-amino-2-methyl-1-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]propan-1-one
CID 95545428
1-[2-[3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 45237931
(2-hydroxyphenyl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95553574
1-[3-[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-3-oxopropyl]piperidin-2-one
CID 26328870
5-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 95550119
pyridin-2-yl-[3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 56863219
1-[4-[3-[2-(3,4-difluorophenyl)ethyl]piperidin-1-yl]-4-oxobutyl]pyrrolidin-2-one
CID 45241851
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3R)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]methanone
CID 95554391

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one (CID 25477580) is 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CC(=O)N1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
The InChIKey is CXOHFBZUEFRFKU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25F3N2O2/c21-20(22,23)17-6-1-4-15(12-17)8-9-16-5-2-10-24(13-16)19(27)14-25-11-3-7-18(25)26/h1,4,6,12,16H,2-3,5,7-11,13-14H2/t16-/m1/s1.
What are the key properties of 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one?
1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one has a molecular weight of 382.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[(3S)-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-1-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 25477580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).