1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

C26H31NO5 — CID 108758828

IUPAC1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1ccc(OCCCC(=O)N2CCC3(CC2)CC(=O)c2cc(OC)ccc2O3)cc1
InChIInChI=1S/C26H31NO5/c1-3-19-6-8-20(9-7-19)31-16-4-5-25(29)27-14-12-26(13-15-27)18-23(28)22-17-21(30-2)10-11-24(22)32-26/h6-11,17H,3-5,12-16,18H2,1-2H3
InChIKeyDOFAEIGJMYLEHR-UHFFFAOYSA-N
MW437.54 g/mol
LogP4.44
Rot. Bonds7

About 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one

1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108758828) has the molecular formula C26H31NO5 and a molecular weight of 437.54 g/mol. Its IUPAC name is 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108758828
Molecular FormulaC26H31NO5
Molecular Weight437.54 g/mol
Exact Mass437.22
IUPAC Name1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCCc1ccc(OCCCC(=O)N2CCC3(CC2)CC(=O)c2cc(OC)ccc2O3)cc1
InChIInChI=1S/C26H31NO5/c1-3-19-6-8-20(9-7-19)31-16-4-5-25(29)27-14-12-26(13-15-27)18-23(28)22-17-21(30-2)10-11-24(22)32-26/h6-11,17H,3-5,12-16,18H2,1-2H3
InChIKeyDOFAEIGJMYLEHR-UHFFFAOYSA-N
XLogP4.44
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1'-[4-(4-methoxyphenoxy)butanoyl]-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758509
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
1'-[2-(4-bromophenyl)acetyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735714
6-methoxy-1'-(3-methylbutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758735
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
CID 67468525
6-methyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757875
1'-[4-(4-chlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757646
1-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-(4-methoxyphenyl)butane-1,4-dione
CID 108735847
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
6-chloro-1'-[4-(2,4-dichlorophenoxy)butanoyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735075
[4-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carbonyl)phenyl] acetate
CID 108735604

Frequently Asked Questions

What is the IUPAC name of 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one (CID 108758828) is 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is CCc1ccc(OCCCC(=O)N2CCC3(CC2)CC(=O)c2cc(OC)ccc2O3)cc1.
What is the InChIKey of 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is DOFAEIGJMYLEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31NO5/c1-3-19-6-8-20(9-7-19)31-16-4-5-25(29)27-14-12-26(13-15-27)18-23(28)22-17-21(30-2)10-11-24(22)32-26/h6-11,17H,3-5,12-16,18H2,1-2H3.
What are the key properties of 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one?
1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 437.54 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[4-(4-ethylphenoxy)butanoyl]-6-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108758828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).