ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate

C16H19F3N2O4 — CID 2813595

IUPACethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O4/c1-2-24-14(22)11-7-9-21(10-8-11)15(23)20-12-3-5-13(6-4-12)25-16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23)
InChIKeyYKSUBRIJEFZPJL-UHFFFAOYSA-N
MW360.33 g/mol
LogP3.39
Rot. Bonds4

About ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate

ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate (PubChem CID 2813595) has the molecular formula C16H19F3N2O4 and a molecular weight of 360.33 g/mol. Its IUPAC name is ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate
PubChem CID2813595
Molecular FormulaC16H19F3N2O4
Molecular Weight360.33 g/mol
Exact Mass360.13
IUPAC Nameethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O4/c1-2-24-14(22)11-7-9-21(10-8-11)15(23)20-12-3-5-13(6-4-12)25-16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23)
InChIKeyYKSUBRIJEFZPJL-UHFFFAOYSA-N
XLogP3.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.33
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate (CID 2813595) is ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Nc2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate?
The InChIKey is YKSUBRIJEFZPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O4/c1-2-24-14(22)11-7-9-21(10-8-11)15(23)20-12-3-5-13(6-4-12)25-16(17,18)19/h3-6,11H,2,7-10H2,1H3,(H,20,23).
What are the key properties of ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate?
ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate has a molecular weight of 360.33 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-(trifluoromethoxy)phenyl]carbamoyl]piperidine-4-carboxylate is sourced from PubChem (CID 2813595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).