4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

C17H23F3N2O2 — CID 47069356

IUPAC4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-3-24-15-8-10-22(11-9-15)16(23)21-12(2)13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyWIYGDBJZKKNTLL-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.98
Rot. Bonds4

About 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide

4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (PubChem CID 47069356) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
PubChem CID47069356
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H23F3N2O2/c1-3-24-15-8-10-22(11-9-15)16(23)21-12(2)13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15H,3,8-11H2,1-2H3,(H,21,23)
InChIKeyWIYGDBJZKKNTLL-UHFFFAOYSA-N
XLogP3.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide (CID 47069356) is 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is CCOC1CCN(C(=O)NC(C)c2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
The InChIKey is WIYGDBJZKKNTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-24-15-8-10-22(11-9-15)16(23)21-12(2)13-4-6-14(7-5-13)17(18,19)20/h4-7,12,15H,3,8-11H2,1-2H3,(H,21,23).
What are the key properties of 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide?
4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[1-[4-(trifluoromethyl)phenyl]ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 47069356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).