6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C22H21Cl2NO4 — CID 108758658

IUPAC6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-2-28-16-5-3-14(4-6-16)21(27)25-9-7-22(8-10-25)13-19(26)17-11-15(23)12-18(24)20(17)29-22/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyQEYWLYPYQWVGOJ-UHFFFAOYSA-N
MW434.32 g/mol
LogP5.03
Rot. Bonds3

About 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one

6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758658) has the molecular formula C22H21Cl2NO4 and a molecular weight of 434.32 g/mol. Its IUPAC name is 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758658
Molecular FormulaC22H21Cl2NO4
Molecular Weight434.32 g/mol
Exact Mass433.08
IUPAC Name6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1
InChIInChI=1S/C22H21Cl2NO4/c1-2-28-16-5-3-14(4-6-16)21(27)25-9-7-22(8-10-25)13-19(26)17-11-15(23)12-18(24)20(17)29-22/h3-6,11-12H,2,7-10,13H2,1H3
InChIKeyQEYWLYPYQWVGOJ-UHFFFAOYSA-N
XLogP5.03
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.32
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-8-methyl-1'-[4-(2-methylpropoxy)benzoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726104
[3-(6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108758625
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
6,8-dichloro-1'-[2-(4-methoxyphenyl)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735520
1'-benzoyl-6-chloro-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108726147
6,8-dichloro-1'-(4-methyl-3,5-dinitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735508
6,8-dichloro-1'-(furan-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758643
prop-2-enyl 6,8-dichloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735528
6,8-dichloro-1'-[2-(4-methoxyphenoxy)propanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735553
6,8-dichloro-1'-(3-chloro-2,2-dimethylpropanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758629
6-chloro-8-methyl-1'-(4-nitrobenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750273
6-chloro-1'-(3-methoxybenzoyl)-8-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750281

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758658) is 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is CCOc1ccc(C(=O)N2CCC3(CC2)CC(=O)c2cc(Cl)cc(Cl)c2O3)cc1.
What is the InChIKey of 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is QEYWLYPYQWVGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2NO4/c1-2-28-16-5-3-14(4-6-16)21(27)25-9-7-22(8-10-25)13-19(26)17-11-15(23)12-18(24)20(17)29-22/h3-6,11-12H,2,7-10,13H2,1H3.
What are the key properties of 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 434.32 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1'-(4-ethoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).