1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

C17H14ClNO3S — CID 73168205

IUPAC1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc(Cl)s3)C2)c2ccccc21
InChIInChI=1S/C17H14ClNO3S/c18-14-7-6-13(23-14)15(20)19-9-3-8-17(10-19)12-5-2-1-4-11(12)16(21)22-17/h1-2,4-7H,3,8-10H2
InChIKeyZWOURXNTJPGAEO-UHFFFAOYSA-N
MW347.82 g/mol
LogP3.70
Rot. Bonds1

About 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one

1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (PubChem CID 73168205) has the molecular formula C17H14ClNO3S and a molecular weight of 347.82 g/mol. Its IUPAC name is 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.

Molecular Properties

Compound Name1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
PubChem CID73168205
Molecular FormulaC17H14ClNO3S
Molecular Weight347.82 g/mol
Exact Mass347.04
IUPAC Name1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one
SMILESO=C1OC2(CCCN(C(=O)c3ccc(Cl)s3)C2)c2ccccc21
InChIInChI=1S/C17H14ClNO3S/c18-14-7-6-13(23-14)15(20)19-9-3-8-17(10-19)12-5-2-1-4-11(12)16(21)22-17/h1-2,4-7H,3,8-10H2
InChIKeyZWOURXNTJPGAEO-UHFFFAOYSA-N
XLogP3.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The IUPAC name of 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one (CID 73168205) is 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one.
What is the SMILES notation for 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The canonical SMILES for 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is O=C1OC2(CCCN(C(=O)c3ccc(Cl)s3)C2)c2ccccc21.
What is the InChIKey of 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
The InChIKey is ZWOURXNTJPGAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO3S/c18-14-7-6-13(23-14)15(20)19-9-3-8-17(10-19)12-5-2-1-4-11(12)16(21)22-17/h1-2,4-7H,3,8-10H2.
What are the key properties of 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one?
1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one has a molecular weight of 347.82 g/mol, XLogP of 3.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(5-chlorothiophene-2-carbonyl)spiro[2-benzofuran-3,3'-piperidine]-1-one is sourced from PubChem (CID 73168205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).