(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C11H16F3N3O2 — CID 124698826

IUPAC(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCNCC2)CN1CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-17-6-8(5-9(17)18)10(19)16-3-1-15-2-4-16/h8,15H,1-7H2/t8-/m0/s1
InChIKeyIDIZUYADVJKPRN-QMMMGPOBSA-N
MW279.26 g/mol
LogP-0.17
Rot. Bonds2

About (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 124698826) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID124698826
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C[C@H](C(=O)N2CCNCC2)CN1CC(F)(F)F
InChIInChI=1S/C11H16F3N3O2/c12-11(13,14)7-17-6-8(5-9(17)18)10(19)16-3-1-15-2-4-16/h8,15H,1-7H2/t8-/m0/s1
InChIKeyIDIZUYADVJKPRN-QMMMGPOBSA-N
XLogP-0.17
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperazine-2,6-dione
CID 66083143
4-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]-1,4-diazepan-2-one
CID 62897940
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 55604569
1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
(4S)-4-[(4R)-4-tert-butylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 99808600
5-methyl-1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 122118625
(4R)-4-[(4R)-4-propylazepane-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 94878389
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668
(4S)-4-[(2R)-2-tert-butylmorpholine-4-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 129358208
(3S)-3-methyl-1-[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124698086
5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120811957

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 124698826) is (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C[C@H](C(=O)N2CCNCC2)CN1CC(F)(F)F.
What is the InChIKey of (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is IDIZUYADVJKPRN-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c12-11(13,14)7-17-6-8(5-9(17)18)10(19)16-3-1-15-2-4-16/h8,15H,1-7H2/t8-/m0/s1.
What are the key properties of (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 279.26 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 124698826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).