3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

C22H20N4O3 — CID 44583556

IUPAC3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C22H20N4O3/c27-20-17-8-4-5-9-18(17)22(29-20)11-14-25(15-12-22)21(28)23-19-10-13-26(24-19)16-6-2-1-3-7-16/h1-10,13H,11-12,14-15H2,(H,23,24,28)
InChIKeyMLBFATLZLFHWGF-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.57
Rot. Bonds2

About 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide

3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (PubChem CID 44583556) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound Name3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
PubChem CID44583556
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide
SMILESO=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21
InChIInChI=1S/C22H20N4O3/c27-20-17-8-4-5-9-18(17)22(29-20)11-14-25(15-12-22)21(28)23-19-10-13-26(24-19)16-6-2-1-3-7-16/h1-10,13H,11-12,14-15H2,(H,23,24,28)
InChIKeyMLBFATLZLFHWGF-UHFFFAOYSA-N
XLogP3.57
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The IUPAC name of 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide (CID 44583556) is 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The canonical SMILES for 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is O=C1OC2(CCN(C(=O)Nc3ccn(-c4ccccc4)n3)CC2)c2ccccc21.
What is the InChIKey of 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
The InChIKey is MLBFATLZLFHWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c27-20-17-8-4-5-9-18(17)22(29-20)11-14-25(15-12-22)21(28)23-19-10-13-26(24-19)16-6-2-1-3-7-16/h1-10,13H,11-12,14-15H2,(H,23,24,28).
What are the key properties of 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide?
3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-N-(1-phenylpyrazol-3-yl)spiro[2-benzofuran-1,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 44583556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).