[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate

C25H27NO8 — CID 108762613

IUPAC[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)cc1
InChIInChI=1S/C25H27NO8/c1-4-32-24(29)33-17-7-5-16(6-8-17)23(28)26-13-11-25(12-14-26)15-19(27)18-9-10-20(30-2)22(31-3)21(18)34-25/h5-10H,4,11-15H2,1-3H3
InChIKeyDACBGHAZTKRGIG-UHFFFAOYSA-N
MW469.49 g/mol
LogP3.88
Rot. Bonds5

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

[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate (PubChem CID 108762613) has the molecular formula C25H27NO8 and a molecular weight of 469.49 g/mol. Its IUPAC name is [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate.

Molecular Properties

Compound Name[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate
PubChem CID108762613
Molecular FormulaC25H27NO8
Molecular Weight469.49 g/mol
Exact Mass469.17
IUPAC Name[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)cc1
InChIInChI=1S/C25H27NO8/c1-4-32-24(29)33-17-7-5-16(6-8-17)23(28)26-13-11-25(12-14-26)15-19(27)18-9-10-20(30-2)22(31-3)21(18)34-25/h5-10H,4,11-15H2,1-3H3
InChIKeyDACBGHAZTKRGIG-UHFFFAOYSA-N
XLogP3.88
TPSA100.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'}

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Related Compounds

1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
7,8-dimethoxy-1'-(4-pyrrol-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739978
7,8-dimethoxy-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762628
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
1'-(3-bromobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762640
7,8-dimethoxy-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108740057
1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
3-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzonitrile
CID 108740098
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762711
ethyl [4-[4-(3,4,5-trimethoxybenzoyl)piperazine-1-carbonyl]phenyl] carbonate
CID 108929525

Frequently Asked Questions

What is the IUPAC name of [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate?
The IUPAC name of [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate (CID 108762613) is [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate.
What is the SMILES notation for [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate?
The canonical SMILES for [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate is CCOC(=O)Oc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2ccc(OC)c(OC)c2O3)cc1.
What is the InChIKey of [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate?
The InChIKey is DACBGHAZTKRGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO8/c1-4-32-24(29)33-17-7-5-16(6-8-17)23(28)26-13-11-25(12-14-26)15-19(27)18-9-10-20(30-2)22(31-3)21(18)34-25/h5-10H,4,11-15H2,1-3H3.
What are the key properties of [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate?
[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate has a molecular weight of 469.49 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate is sourced from PubChem (CID 108762613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).