7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C25H27NO6 — CID 108758942

IUPAC7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESC=CCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C25H27NO6/c1-3-14-30-21-6-4-5-7-22(21)31-17-24(28)26-12-10-25(11-13-26)16-20(27)19-9-8-18(29-2)15-23(19)32-25/h3-9,15H,1,10-14,16-17H2,2H3
InChIKeyNSLFGDWYJLYUSB-UHFFFAOYSA-N
MW437.49 g/mol
LogP3.67
Rot. Bonds7

About 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758942) has the molecular formula C25H27NO6 and a molecular weight of 437.49 g/mol. Its IUPAC name is 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758942
Molecular FormulaC25H27NO6
Molecular Weight437.49 g/mol
Exact Mass437.18
IUPAC Name7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESC=CCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2
InChIInChI=1S/C25H27NO6/c1-3-14-30-21-6-4-5-7-22(21)31-17-24(28)26-12-10-25(11-13-26)16-20(27)19-9-8-18(29-2)15-23(19)32-25/h3-9,15H,1,10-14,16-17H2,2H3
InChIKeyNSLFGDWYJLYUSB-UHFFFAOYSA-N
XLogP3.67
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.49
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758259
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
6-chloro-8-methyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108750346
6-chloro-5,7-dimethyl-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758603
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1'-(2-cyclohexylacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758841
1'-[2-(4-methoxyphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 90585903
6-chloro-1'-[2-(2-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735131
1'-[2-(2-fluorophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 7260607

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758942) is 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is C=CCOc1ccccc1OCC(=O)N1CCC2(CC1)CC(=O)c1ccc(OC)cc1O2.
What is the InChIKey of 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is NSLFGDWYJLYUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO6/c1-3-14-30-21-6-4-5-7-22(21)31-17-24(28)26-12-10-25(11-13-26)16-20(27)19-9-8-18(29-2)15-23(19)32-25/h3-9,15H,1,10-14,16-17H2,2H3.
What are the key properties of 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 437.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-[2-(2-prop-2-enoxyphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).