3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C16H24F3N3O2 — CID 128853403

IUPAC3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)N1CCC(C2CCCC2)C1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)10-22-8-6-13(14(22)23)20-15(24)21-7-5-12(9-21)11-3-1-2-4-11/h11-13H,1-10H2,(H,20,24)
InChIKeyRJJADEOLXLEQNV-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.37
Rot. Bonds3

About 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 128853403) has the molecular formula C16H24F3N3O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID128853403
Molecular FormulaC16H24F3N3O2
Molecular Weight347.38 g/mol
Exact Mass347.18
IUPAC Name3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESO=C(NC1CCN(CC(F)(F)F)C1=O)N1CCC(C2CCCC2)C1
InChIInChI=1S/C16H24F3N3O2/c17-16(18,19)10-22-8-6-13(14(22)23)20-15(24)21-7-5-12(9-21)11-3-1-2-4-11/h11-13H,1-10H2,(H,20,24)
InChIKeyRJJADEOLXLEQNV-UHFFFAOYSA-N
XLogP2.37
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 128853403) is 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is O=C(NC1CCN(CC(F)(F)F)C1=O)N1CCC(C2CCCC2)C1.
What is the InChIKey of 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is RJJADEOLXLEQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F3N3O2/c17-16(18,19)10-22-8-6-13(14(22)23)20-15(24)21-7-5-12(9-21)11-3-1-2-4-11/h11-13H,1-10H2,(H,20,24).
What are the key properties of 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 128853403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).