1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide

C18H18F3N3O — CID 175295924

IUPAC1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
SMILESNC(=O)C1C(C(F)(F)F)CCCN1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-2-1-11-24(16(15)17(22)25)14-5-3-12(4-6-14)13-7-9-23-10-8-13/h3-10,15-16H,1-2,11H2,(H2,22,25)
InChIKeyDXZVUTLREHNLPJ-UHFFFAOYSA-N
MW349.36 g/mol
LogP3.38
Rot. Bonds3

About 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide

1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 175295924) has the molecular formula C18H18F3N3O and a molecular weight of 349.36 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID175295924
Molecular FormulaC18H18F3N3O
Molecular Weight349.36 g/mol
Exact Mass349.14
IUPAC Name1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide
SMILESNC(=O)C1C(C(F)(F)F)CCCN1c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C18H18F3N3O/c19-18(20,21)15-2-1-11-24(16(15)17(22)25)14-5-3-12(4-6-14)13-7-9-23-10-8-13/h3-10,15-16H,1-2,11H2,(H2,22,25)
InChIKeyDXZVUTLREHNLPJ-UHFFFAOYSA-N
XLogP3.38
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide (CID 175295924) is 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide is NC(=O)C1C(C(F)(F)F)CCCN1c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is DXZVUTLREHNLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O/c19-18(20,21)15-2-1-11-24(16(15)17(22)25)14-5-3-12(4-6-14)13-7-9-23-10-8-13/h3-10,15-16H,1-2,11H2,(H2,22,25).
What are the key properties of 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide?
1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 349.36 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylphenyl)-3-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 175295924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).