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

C25H24N4O3 — CID 22660753

IUPAC6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc2c(c1)C1(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC1)OC2=O
InChIInChI=1S/C25H24N4O3/c1-2-17-8-9-19-20(14-17)25(32-23(19)30)10-12-29(13-11-25)24(31)28-22-16-26-21(15-27-22)18-6-4-3-5-7-18/h3-9,14-16H,2,10-13H2,1H3,(H,27,28,31)
InChIKeyHEQQGMJHDIRYEB-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.40
Rot. Bonds3

About 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 22660753) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID22660753
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESCCc1ccc2c(c1)C1(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC1)OC2=O
InChIInChI=1S/C25H24N4O3/c1-2-17-8-9-19-20(14-17)25(32-23(19)30)10-12-29(13-11-25)24(31)28-22-16-26-21(15-27-22)18-6-4-3-5-7-18/h3-9,14-16H,2,10-13H2,1H3,(H,27,28,31)
InChIKeyHEQQGMJHDIRYEB-UHFFFAOYSA-N
XLogP4.40
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 22660753) is 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is CCc1ccc2c(c1)C1(CCN(C(=O)Nc3cnc(-c4ccccc4)cn3)CC1)OC2=O.
What is the InChIKey of 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is HEQQGMJHDIRYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-17-8-9-19-20(14-17)25(32-23(19)30)10-12-29(13-11-25)24(31)28-22-16-26-21(15-27-22)18-6-4-3-5-7-18/h3-9,14-16H,2,10-13H2,1H3,(H,27,28,31).
What are the key properties of 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 428.49 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-oxo-N-(5-phenylpyrazin-2-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 22660753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).