methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate

C24H25NO7 — CID 108740066

IUPACmethyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2
InChIInChI=1S/C24H25NO7/c1-29-19-9-8-17-18(26)14-24(32-20(17)21(19)30-2)10-12-25(13-11-24)22(27)15-6-4-5-7-16(15)23(28)31-3/h4-9H,10-14H2,1-3H3
InChIKeySYAFISCVHZVEMW-UHFFFAOYSA-N
MW439.46 g/mol
LogP3.13
Rot. Bonds4

About methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate

methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate (PubChem CID 108740066) has the molecular formula C24H25NO7 and a molecular weight of 439.46 g/mol. Its IUPAC name is methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
PubChem CID108740066
Molecular FormulaC24H25NO7
Molecular Weight439.46 g/mol
Exact Mass439.16
IUPAC Namemethyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2
InChIInChI=1S/C24H25NO7/c1-29-19-9-8-17-18(26)14-24(32-20(17)21(19)30-2)10-12-25(13-11-24)22(27)15-6-4-5-7-16(15)23(28)31-3/h4-9H,10-14H2,1-3H3
InChIKeySYAFISCVHZVEMW-UHFFFAOYSA-N
XLogP3.13
TPSA91.37 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.46
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
1'-(2,4-dichlorobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740027
7,8-dimethoxy-1'-(5-methyl-1-phenylpyrazole-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740049
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
7,8-dimethoxy-1'-(4-pyrrol-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739978
1'-(3-bromobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762640
7,8-dimethoxy-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762628
methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108776393
3-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 108740098
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The IUPAC name of methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate (CID 108740066) is methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate.
What is the SMILES notation for methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The canonical SMILES for methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate is COC(=O)c1ccccc1C(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2.
What is the InChIKey of methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
The InChIKey is SYAFISCVHZVEMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO7/c1-29-19-9-8-17-18(26)14-24(32-20(17)21(19)30-2)10-12-25(13-11-24)22(27)15-6-4-5-7-16(15)23(28)31-3/h4-9H,10-14H2,1-3H3.
What are the key properties of methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate?
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate has a molecular weight of 439.46 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate is sourced from PubChem (CID 108740066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).