N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

C19H18F3N3O2 — CID 10199577

IUPACN-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-5-6-16(23-11-14)24-17(26)25-9-7-18(8-10-25)15-4-2-1-3-13(15)12-27-18/h1-6,11H,7-10,12H2,(H,23,24,26)
InChIKeyIQDXUHGHLLPIGK-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.15
Rot. Bonds1

About N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide

N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (PubChem CID 10199577) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
PubChem CID10199577
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cn1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)14-5-6-16(23-11-14)24-17(26)25-9-7-18(8-10-25)15-4-2-1-3-13(15)12-27-18/h1-6,11H,7-10,12H2,(H,23,24,26)
InChIKeyIQDXUHGHLLPIGK-UHFFFAOYSA-N
XLogP4.15
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (CID 10199577) is N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is O=C(Nc1ccc(C(F)(F)F)cn1)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The InChIKey is IQDXUHGHLLPIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)14-5-6-16(23-11-14)24-17(26)25-9-7-18(8-10-25)15-4-2-1-3-13(15)12-27-18/h1-6,11H,7-10,12H2,(H,23,24,26).
What are the key properties of N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 4.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(trifluoromethyl)-2-pyridinyl]spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 10199577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).