ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate

C15H21F3N2O4 — CID 55604639

IUPACethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C15H21F3N2O4/c1-2-24-14(23)10-3-5-19(6-4-10)13(22)11-7-12(21)20(8-11)9-15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyCWCOOBKKBCDWDY-UHFFFAOYSA-N
MW350.34 g/mol
LogP1.20
Rot. Bonds4

About ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate

ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate (PubChem CID 55604639) has the molecular formula C15H21F3N2O4 and a molecular weight of 350.34 g/mol. Its IUPAC name is ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate
PubChem CID55604639
Molecular FormulaC15H21F3N2O4
Molecular Weight350.34 g/mol
Exact Mass350.15
IUPAC Nameethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C15H21F3N2O4/c1-2-24-14(23)10-3-5-19(6-4-10)13(22)11-7-12(21)20(8-11)9-15(16,17)18/h10-11H,2-9H2,1H3
InChIKeyCWCOOBKKBCDWDY-UHFFFAOYSA-N
XLogP1.20
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate (CID 55604639) is ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1.
What is the InChIKey of ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate?
The InChIKey is CWCOOBKKBCDWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F3N2O4/c1-2-24-14(23)10-3-5-19(6-4-10)13(22)11-7-12(21)20(8-11)9-15(16,17)18/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate?
ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate has a molecular weight of 350.34 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 55604639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).