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

C22H19NO4 — CID 7260632

IUPAC1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)Oc2ccccc21
InChIInChI=1S/C22H19NO4/c24-17-14-22(27-19-8-4-2-6-16(17)19)9-11-23(12-10-22)21(25)20-13-15-5-1-3-7-18(15)26-20/h1-8,13H,9-12,14H2
InChIKeyAXQSXKFYNAAVNE-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.07
Rot. Bonds1

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

1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 7260632) has the molecular formula C22H19NO4 and a molecular weight of 361.40 g/mol. Its IUPAC name is 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID7260632
Molecular FormulaC22H19NO4
Molecular Weight361.40 g/mol
Exact Mass361.13
IUPAC Name1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)Oc2ccccc21
InChIInChI=1S/C22H19NO4/c24-17-14-22(27-19-8-4-2-6-16(17)19)9-11-23(12-10-22)21(25)20-13-15-5-1-3-7-18(15)26-20/h1-8,13H,9-12,14H2
InChIKeyAXQSXKFYNAAVNE-UHFFFAOYSA-N
XLogP4.07
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 7260632) is 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cc4ccccc4o3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is AXQSXKFYNAAVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO4/c24-17-14-22(27-19-8-4-2-6-16(17)19)9-11-23(12-10-22)21(25)20-13-15-5-1-3-7-18(15)26-20/h1-8,13H,9-12,14H2.
What are the key properties of 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 361.40 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1-benzofuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 7260632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).