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

C15H22F3N3O4 — CID 55616594

IUPACethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C15H22F3N3O4/c1-2-25-14(24)20-5-3-11(4-6-20)19-13(23)10-7-12(22)21(8-10)9-15(16,17)18/h10-11H,2-9H2,1H3,(H,19,23)
InChIKeySZSYPQMSSRZDBX-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.13
Rot. Bonds4

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

ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (PubChem CID 55616594) has the molecular formula C15H22F3N3O4 and a molecular weight of 365.35 g/mol. Its IUPAC name is ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
PubChem CID55616594
Molecular FormulaC15H22F3N3O4
Molecular Weight365.35 g/mol
Exact Mass365.16
IUPAC Nameethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1
InChIInChI=1S/C15H22F3N3O4/c1-2-25-14(24)20-5-3-11(4-6-20)19-13(23)10-7-12(22)21(8-10)9-15(16,17)18/h10-11H,2-9H2,1H3,(H,19,23)
InChIKeySZSYPQMSSRZDBX-UHFFFAOYSA-N
XLogP1.13
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate (CID 55616594) is ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)C2CC(=O)N(CC(F)(F)F)C2)CC1.
What is the InChIKey of ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
The InChIKey is SZSYPQMSSRZDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O4/c1-2-25-14(24)20-5-3-11(4-6-20)19-13(23)10-7-12(22)21(8-10)9-15(16,17)18/h10-11H,2-9H2,1H3,(H,19,23).
What are the key properties of ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate?
ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate has a molecular weight of 365.35 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 55616594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).