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

C23H22N4O2 — CID 44583277

IUPACN-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)cn1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C23H22N4O2/c28-22(26-21-15-24-20(14-25-21)17-6-2-1-3-7-17)27-12-10-23(11-13-27)19-9-5-4-8-18(19)16-29-23/h1-9,14-15H,10-13,16H2,(H,25,26,28)
InChIKeyFUQBDKYELHXTHE-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.20
Rot. Bonds2

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

N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (PubChem CID 44583277) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
PubChem CID44583277
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC NameN-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide
SMILESO=C(Nc1cnc(-c2ccccc2)cn1)N1CCC2(CC1)OCc1ccccc12
InChIInChI=1S/C23H22N4O2/c28-22(26-21-15-24-20(14-25-21)17-6-2-1-3-7-17)27-12-10-23(11-13-27)19-9-5-4-8-18(19)16-29-23/h1-9,14-15H,10-13,16H2,(H,25,26,28)
InChIKeyFUQBDKYELHXTHE-UHFFFAOYSA-N
XLogP4.20
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide (CID 44583277) is N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is O=C(Nc1cnc(-c2ccccc2)cn1)N1CCC2(CC1)OCc1ccccc12.
What is the InChIKey of N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
The InChIKey is FUQBDKYELHXTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c28-22(26-21-15-24-20(14-25-21)17-6-2-1-3-7-17)27-12-10-23(11-13-27)19-9-5-4-8-18(19)16-29-23/h1-9,14-15H,10-13,16H2,(H,25,26,28).
What are the key properties of N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide?
N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 4.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenylpyrazin-2-yl)spiro[1H-2-benzofuran-3,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).