5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

C14H20F6N4O2 — CID 120811957

IUPAC5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H20F6N4O2/c15-13(16,17)8-24-7-9(5-11(24)25)12(26)22-6-10(14(18,19)20)23-3-1-21-2-4-23/h9-10,21H,1-8H2,(H,22,26)
InChIKeyASIQXLSRFBOOTF-UHFFFAOYSA-N
MW390.33 g/mol
LogP0.35
Rot. Bonds5

About 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide

5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (PubChem CID 120811957) has the molecular formula C14H20F6N4O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
PubChem CID120811957
Molecular FormulaC14H20F6N4O2
Molecular Weight390.33 g/mol
Exact Mass390.15
IUPAC Name5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
SMILESO=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(CC(F)(F)F)C1
InChIInChI=1S/C14H20F6N4O2/c15-13(16,17)8-24-7-9(5-11(24)25)12(26)22-6-10(14(18,19)20)23-3-1-21-2-4-23/h9-10,21H,1-8H2,(H,22,26)
InChIKeyASIQXLSRFBOOTF-UHFFFAOYSA-N
XLogP0.35
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-5-oxo-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide
CID 120813021
5-oxo-N-piperidin-4-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 119389668
N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclobutanecarboxamide;hydrochloride
CID 120813116
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120652292
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124698826
4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
1-methyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)piperidine-4-carboxamide
CID 120812289
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120888824
N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 120945140
2,2,3,3-tetramethyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclopropane-1-carboxamide;hydrochloride
CID 120812498
(3R)-5-oxo-N-propan-2-yl-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 95130119
4-phenyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)cyclohexane-1-carboxamide
CID 120811457

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide (CID 120811957) is 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is O=C(NCC(N1CCNCC1)C(F)(F)F)C1CC(=O)N(CC(F)(F)F)C1.
What is the InChIKey of 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is ASIQXLSRFBOOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6N4O2/c15-13(16,17)8-24-7-9(5-11(24)25)12(26)22-6-10(14(18,19)20)23-3-1-21-2-4-23/h9-10,21H,1-8H2,(H,22,26).
What are the key properties of 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide?
5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2,2,2-trifluoroethyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120811957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).