7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one

C23H25NO5 — CID 108762645

IUPAC7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1OC)OC1(CCN(C(=O)Cc3ccccc3)CC1)CC2=O
InChIInChI=1S/C23H25NO5/c1-27-19-9-8-17-18(25)15-23(29-21(17)22(19)28-2)10-12-24(13-11-23)20(26)14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3
InChIKeyJOCGBNPETIDTKZ-UHFFFAOYSA-N
MW395.46 g/mol
LogP3.27
Rot. Bonds4

About 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one

7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108762645) has the molecular formula C23H25NO5 and a molecular weight of 395.46 g/mol. Its IUPAC name is 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108762645
Molecular FormulaC23H25NO5
Molecular Weight395.46 g/mol
Exact Mass395.17
IUPAC Name7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1OC)OC1(CCN(C(=O)Cc3ccccc3)CC1)CC2=O
InChIInChI=1S/C23H25NO5/c1-27-19-9-8-17-18(25)15-23(29-21(17)22(19)28-2)10-12-24(13-11-23)20(26)14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3
InChIKeyJOCGBNPETIDTKZ-UHFFFAOYSA-N
XLogP3.27
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762684
1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762711
1'-[2-(3,4-dimethoxyphenyl)acetyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734815
1'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762667
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
1'-[(E)-3-(3-chlorophenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762658
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
7,8-dimethoxy-1'-[5-oxo-1-(1-phenylethyl)pyrrolidine-3-carbonyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762678
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

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108762645) is 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1OC)OC1(CCN(C(=O)Cc3ccccc3)CC1)CC2=O.
What is the InChIKey of 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is JOCGBNPETIDTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO5/c1-27-19-9-8-17-18(25)15-23(29-21(17)22(19)28-2)10-12-24(13-11-23)20(26)14-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3.
What are the key properties of 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one?
7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 395.46 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108762645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).