ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate

C23H25F3N2O3 — CID 618749

IUPACethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N2O3/c1-2-31-21(30)22(17-8-4-3-5-9-17)12-14-28(15-13-22)16-20(29)27-19-11-7-6-10-18(19)23(24,25)26/h3-11H,2,12-16H2,1H3,(H,27,29)
InChIKeyBXTZMTSEMZLCRP-UHFFFAOYSA-N
MW434.46 g/mol
LogP4.24
Rot. Bonds6

About ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate

ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate (PubChem CID 618749) has the molecular formula C23H25F3N2O3 and a molecular weight of 434.46 g/mol. Its IUPAC name is ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate
PubChem CID618749
Molecular FormulaC23H25F3N2O3
Molecular Weight434.46 g/mol
Exact Mass434.18
IUPAC Nameethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C23H25F3N2O3/c1-2-31-21(30)22(17-8-4-3-5-9-17)12-14-28(15-13-22)16-20(29)27-19-11-7-6-10-18(19)23(24,25)26/h3-11H,2,12-16H2,1H3,(H,27,29)
InChIKeyBXTZMTSEMZLCRP-UHFFFAOYSA-N
XLogP4.24
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate (CID 618749) is ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1.
What is the InChIKey of ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate?
The InChIKey is BXTZMTSEMZLCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O3/c1-2-31-21(30)22(17-8-4-3-5-9-17)12-14-28(15-13-22)16-20(29)27-19-11-7-6-10-18(19)23(24,25)26/h3-11H,2,12-16H2,1H3,(H,27,29).
What are the key properties of ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate?
ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate has a molecular weight of 434.46 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 618749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).