piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone

C21H25N5O2 — CID 167776157

IUPACpiperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCC3(CC2)COc2ccccc23)nn1)N1CCNCC1
InChIInChI=1S/C21H25N5O2/c27-20(26-13-9-22-10-14-26)17-5-6-19(24-23-17)25-11-7-21(8-12-25)15-28-18-4-2-1-3-16(18)21/h1-6,22H,7-15H2
InChIKeyBQNCOJXCGISLEH-UHFFFAOYSA-N
MW379.46 g/mol
LogP1.45
Rot. Bonds2

About piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone

piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone (PubChem CID 167776157) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone.

Molecular Properties

Compound Namepiperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
PubChem CID167776157
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Namepiperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone
SMILESO=C(c1ccc(N2CCC3(CC2)COc2ccccc23)nn1)N1CCNCC1
InChIInChI=1S/C21H25N5O2/c27-20(26-13-9-22-10-14-26)17-5-6-19(24-23-17)25-11-7-21(8-12-25)15-28-18-4-2-1-3-16(18)21/h1-6,22H,7-15H2
InChIKeyBQNCOJXCGISLEH-UHFFFAOYSA-N
XLogP1.45
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The IUPAC name of piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone (CID 167776157) is piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone.
What is the SMILES notation for piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The canonical SMILES for piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone is O=C(c1ccc(N2CCC3(CC2)COc2ccccc23)nn1)N1CCNCC1.
What is the InChIKey of piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
The InChIKey is BQNCOJXCGISLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c27-20(26-13-9-22-10-14-26)17-5-6-19(24-23-17)25-11-7-21(8-12-25)15-28-18-4-2-1-3-16(18)21/h1-6,22H,7-15H2.
What are the key properties of piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone?
piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone has a molecular weight of 379.46 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for piperazin-1-yl-(6-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylpyridazin-3-yl)methanone is sourced from PubChem (CID 167776157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).