diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

C19H25NO6 — CID 154462590

IUPACdiethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(OCC)OC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C19H25NO6/c1-3-23-18(24-4-2)25-17(22)20-11-9-19(10-12-20)13-15(21)14-7-5-6-8-16(14)26-19/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyISZLWBHTAYBJEH-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.98
Rot. Bonds5

About diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate

diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (PubChem CID 154462590) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.

Molecular Properties

Compound Namediethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
PubChem CID154462590
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namediethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
SMILESCCOC(OCC)OC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2
InChIInChI=1S/C19H25NO6/c1-3-23-18(24-4-2)25-17(22)20-11-9-19(10-12-20)13-15(21)14-7-5-6-8-16(14)26-19/h5-8,18H,3-4,9-13H2,1-2H3
InChIKeyISZLWBHTAYBJEH-UHFFFAOYSA-N
XLogP2.98
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1'-(2-methylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260499
1'-(3-methylbutanoyl)spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585824
1'-(morpholine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 126468398
1'-(4-propan-2-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734251
2-(4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoic acid
CID 7260656
1'-(2-chlorobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260534
1'-(1-acetylpiperidine-4-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734267
1'-(2-ethoxyphenyl)sulfonylspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90586016
2-[(2R)-2',4-dioxospiro[3H-chromene-2,5'-azepane]-1'-yl]-N-propan-2-ylacetamide
CID 95794446
1'-(2-iodobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757554
[2-oxo-2-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)ethyl]urea
CID 164695148
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607

Frequently Asked Questions

What is the IUPAC name of diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The IUPAC name of diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate (CID 154462590) is diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate.
What is the SMILES notation for diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The canonical SMILES for diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is CCOC(OCC)OC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2.
What is the InChIKey of diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
The InChIKey is ISZLWBHTAYBJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO6/c1-3-23-18(24-4-2)25-17(22)20-11-9-19(10-12-20)13-15(21)14-7-5-6-8-16(14)26-19/h5-8,18H,3-4,9-13H2,1-2H3.
What are the key properties of diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate?
diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxymethyl 4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate is sourced from PubChem (CID 154462590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).