1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C25H29NO7 — CID 108762684

IUPAC1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2
InChIInChI=1S/C25H29NO7/c1-4-31-19-7-5-6-8-20(19)32-16-22(28)26-13-11-25(12-14-26)15-18(27)17-9-10-21(29-2)24(30-3)23(17)33-25/h5-10H,4,11-16H2,1-3H3
InChIKeyFMMMOKKQCHFNJL-UHFFFAOYSA-N
MW455.51 g/mol
LogP3.51
Rot. Bonds7

About 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108762684) has the molecular formula C25H29NO7 and a molecular weight of 455.51 g/mol. Its IUPAC name is 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108762684
Molecular FormulaC25H29NO7
Molecular Weight455.51 g/mol
Exact Mass455.19
IUPAC Name1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2
InChIInChI=1S/C25H29NO7/c1-4-31-19-7-5-6-8-20(19)32-16-22(28)26-13-11-25(12-14-26)15-18(27)17-9-10-21(29-2)24(30-3)23(17)33-25/h5-10H,4,11-16H2,1-3H3
InChIKeyFMMMOKKQCHFNJL-UHFFFAOYSA-N
XLogP3.51
TPSA83.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758122
1'-[2-(4-chlorophenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762711
7,8-dimethoxy-1'-(2-phenylacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762645
1'-(3,4-dimethoxybenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762616
methyl 2-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)benzoate
CID 108740066
1'-(furan-2-carbonyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762631
1'-(3-bromobenzoyl)-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762640
[4-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] ethyl carbonate
CID 108762613
7,8-dimethoxy-1'-(3-methoxybenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762635
1'-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108762667
7,8-dimethoxy-1'-(4-pyrrol-1-ylbenzoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108739978
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758942

Frequently Asked Questions

What is the IUPAC name of 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108762684) is 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is CCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)c(OC)c1O2.
What is the InChIKey of 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is FMMMOKKQCHFNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO7/c1-4-31-19-7-5-6-8-20(19)32-16-22(28)26-13-11-25(12-14-26)15-18(27)17-9-10-21(29-2)24(30-3)23(17)33-25/h5-10H,4,11-16H2,1-3H3.
What are the key properties of 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 455.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[2-(2-ethoxyphenoxy)acetyl]-7,8-dimethoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108762684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).