ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate

C17H21F3N2O3 — CID 3244284

IUPACethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate
SMILESCCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O3/c1-2-25-14(23)16(17(18,19)20,13-9-5-3-6-10-13)21-15(24)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,21,24)
InChIKeyJILBSTNZAQRNJB-UHFFFAOYSA-N
MW358.36 g/mol
LogP3.20
Rot. Bonds4

About ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate

ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate (PubChem CID 3244284) has the molecular formula C17H21F3N2O3 and a molecular weight of 358.36 g/mol. Its IUPAC name is ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate.

Molecular Properties

Compound Nameethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate
PubChem CID3244284
Molecular FormulaC17H21F3N2O3
Molecular Weight358.36 g/mol
Exact Mass358.15
IUPAC Nameethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate
SMILESCCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C17H21F3N2O3/c1-2-25-14(23)16(17(18,19)20,13-9-5-3-6-10-13)21-15(24)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,21,24)
InChIKeyJILBSTNZAQRNJB-UHFFFAOYSA-N
XLogP3.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.36
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The IUPAC name of ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate (CID 3244284) is ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate.
What is the SMILES notation for ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The canonical SMILES for ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate is CCOC(=O)C(NC(=O)N1CCCCC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate?
The InChIKey is JILBSTNZAQRNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N2O3/c1-2-25-14(23)16(17(18,19)20,13-9-5-3-6-10-13)21-15(24)22-11-7-4-8-12-22/h3,5-6,9-10H,2,4,7-8,11-12H2,1H3,(H,21,24).
What are the key properties of ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate?
ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate has a molecular weight of 358.36 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,3,3-trifluoro-2-phenyl-2-(piperidine-1-carbonylamino)propanoate is sourced from PubChem (CID 3244284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).