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

C26H23NO4 — CID 108734202

IUPAC1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)Oc2ccccc21
InChIInChI=1S/C26H23NO4/c28-23-18-26(31-24-12-5-4-11-22(23)24)13-15-27(16-14-26)25(29)19-7-6-10-21(17-19)30-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
InChIKeyYRIZNPWHCXFTQZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP5.12
Rot. Bonds3

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

1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734202) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734202
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)Oc2ccccc21
InChIInChI=1S/C26H23NO4/c28-23-18-26(31-24-12-5-4-11-22(23)24)13-15-27(16-14-26)25(29)19-7-6-10-21(17-19)30-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2
InChIKeyYRIZNPWHCXFTQZ-UHFFFAOYSA-N
XLogP5.12
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-7-methyl-1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735196
1'-[3-(trifluoromethyl)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260579
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-benzoyl-6-bromospiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770141
1'-benzoyl-6-fluorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 125498789
1'-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)spiro[3H-chromene-2,4'-azepane]-4-one
CID 164700156
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
1'-(2,1,3-benzothiadiazole-5-carbonyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 71805919
2-cyclohexyl-5-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)isoindole-1,3-dione
CID 108757572
1'-benzoyl-8-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 100761498

Frequently Asked Questions

What is the IUPAC name of 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734202) is 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(C(=O)c3cccc(Oc4ccccc4)c3)CC2)Oc2ccccc21.
What is the InChIKey of 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is YRIZNPWHCXFTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23NO4/c28-23-18-26(31-24-12-5-4-11-22(23)24)13-15-27(16-14-26)25(29)19-7-6-10-21(17-19)30-20-8-2-1-3-9-20/h1-12,17H,13-16,18H2.
What are the key properties of 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 413.47 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(3-phenoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).