1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

C17H15NO3S — CID 72719168

IUPAC1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c19-15(12-5-10-22-11-12)18-8-6-17(7-9-18)14-4-2-1-3-13(14)16(20)21-17/h1-5,10-11H,6-9H2
InChIKeyZHIPJEGCKCVPBJ-UHFFFAOYSA-N
MW313.38 g/mol
LogP3.05
Rot. Bonds1

About 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one

1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (PubChem CID 72719168) has the molecular formula C17H15NO3S and a molecular weight of 313.38 g/mol. Its IUPAC name is 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
PubChem CID72719168
Molecular FormulaC17H15NO3S
Molecular Weight313.38 g/mol
Exact Mass313.08
IUPAC Name1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
SMILESO=C1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21
InChIInChI=1S/C17H15NO3S/c19-15(12-5-10-22-11-12)18-8-6-17(7-9-18)14-4-2-1-3-13(14)16(20)21-17/h1-5,10-11H,6-9H2
InChIKeyZHIPJEGCKCVPBJ-UHFFFAOYSA-N
XLogP3.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The IUPAC name of 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one (CID 72719168) is 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one.
What is the SMILES notation for 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The canonical SMILES for 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is O=C1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21.
What is the InChIKey of 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
The InChIKey is ZHIPJEGCKCVPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3S/c19-15(12-5-10-22-11-12)18-8-6-17(7-9-18)14-4-2-1-3-13(14)16(20)21-17/h1-5,10-11H,6-9H2.
What are the key properties of 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one?
1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one has a molecular weight of 313.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(thiophene-3-carbonyl)spiro[2-benzofuran-3,4'-piperidine]-1-one is sourced from PubChem (CID 72719168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).