5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C12H18F3N3O2 — CID 43603372

IUPAC5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(CC(F)(F)F)C2CCNCC2)N1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-18(8-3-5-16-6-4-8)11(20)9-1-2-10(19)17-9/h8-9,16H,1-7H2,(H,17,19)
InChIKeyQMWHCDBCZYRZTG-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.41
Rot. Bonds3

About 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 43603372) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID43603372
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESO=C1CCC(C(=O)N(CC(F)(F)F)C2CCNCC2)N1
InChIInChI=1S/C12H18F3N3O2/c13-12(14,15)7-18(8-3-5-16-6-4-8)11(20)9-1-2-10(19)17-9/h8-9,16H,1-7H2,(H,17,19)
InChIKeyQMWHCDBCZYRZTG-UHFFFAOYSA-N
XLogP0.41
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 43603372) is 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is O=C1CCC(C(=O)N(CC(F)(F)F)C2CCNCC2)N1.
What is the InChIKey of 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is QMWHCDBCZYRZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c13-12(14,15)7-18(8-3-5-16-6-4-8)11(20)9-1-2-10(19)17-9/h8-9,16H,1-7H2,(H,17,19).
What are the key properties of 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 293.29 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43603372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).