1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C17H23F3N2O2 — CID 137362889

IUPAC1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-3-22-8-6-12(7-9-22)16(23)21-11-13-4-5-14(24-2)10-15(13)17(18,19)20/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,23)
InChIKeyQQMCZYUMTKITHN-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.06
Rot. Bonds5

About 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 137362889) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID137362889
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Name1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1
InChIInChI=1S/C17H23F3N2O2/c1-3-22-8-6-12(7-9-22)16(23)21-11-13-4-5-14(24-2)10-15(13)17(18,19)20/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,23)
InChIKeyQQMCZYUMTKITHN-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 137362889) is 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is CCN1CCC(C(=O)NCc2ccc(OC)cc2C(F)(F)F)CC1.
What is the InChIKey of 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is QQMCZYUMTKITHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-3-22-8-6-12(7-9-22)16(23)21-11-13-4-5-14(24-2)10-15(13)17(18,19)20/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,21,23).
What are the key properties of 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 137362889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).