1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C27H28F3N3O2 — CID 121412893

IUPAC1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccn1)c1ccccc1C(F)(F)F)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28F3N3O2/c28-27(29,30)23-11-5-4-10-22(23)25(24-12-6-7-15-31-24)32-26(34)20-13-16-33(17-14-20)18-19-35-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,32,34)
InChIKeyRDXUEXFQZPOAOT-UHFFFAOYSA-N
MW483.53 g/mol
LogP5.10
Rot. Bonds8

About 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 121412893) has the molecular formula C27H28F3N3O2 and a molecular weight of 483.53 g/mol. Its IUPAC name is 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID121412893
Molecular FormulaC27H28F3N3O2
Molecular Weight483.53 g/mol
Exact Mass483.21
IUPAC Name1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccccn1)c1ccccc1C(F)(F)F)C1CCN(CCOc2ccccc2)CC1
InChIInChI=1S/C27H28F3N3O2/c28-27(29,30)23-11-5-4-10-22(23)25(24-12-6-7-15-31-24)32-26(34)20-13-16-33(17-14-20)18-19-35-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,32,34)
InChIKeyRDXUEXFQZPOAOT-UHFFFAOYSA-N
XLogP5.10
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.53
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 121412893) is 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is O=C(NC(c1ccccn1)c1ccccc1C(F)(F)F)C1CCN(CCOc2ccccc2)CC1.
What is the InChIKey of 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is RDXUEXFQZPOAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N3O2/c28-27(29,30)23-11-5-4-10-22(23)25(24-12-6-7-15-31-24)32-26(34)20-13-16-33(17-14-20)18-19-35-21-8-2-1-3-9-21/h1-12,15,20,25H,13-14,16-19H2,(H,32,34).
What are the key properties of 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 483.53 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenoxyethyl)-N-[pyridin-2-yl-[2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 121412893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).