6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

C26H25NO6 — CID 108734544

IUPAC6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC1)O2
InChIInChI=1S/C26H25NO6/c1-16-3-6-22-20(11-16)21(28)14-26(33-22)7-9-27(10-8-26)24(29)15-31-18-4-5-19-17(2)12-25(30)32-23(19)13-18/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyUDTUBNJJGWOPBK-UHFFFAOYSA-N
MW447.49 g/mol
LogP3.82
Rot. Bonds3

About 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one

6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108734544) has the molecular formula C26H25NO6 and a molecular weight of 447.49 g/mol. Its IUPAC name is 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108734544
Molecular FormulaC26H25NO6
Molecular Weight447.49 g/mol
Exact Mass447.17
IUPAC Name6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC1)O2
InChIInChI=1S/C26H25NO6/c1-16-3-6-22-20(11-16)21(28)14-26(33-22)7-9-27(10-8-26)24(29)15-31-18-4-5-19-17(2)12-25(30)32-23(19)13-18/h3-6,11-13H,7-10,14-15H2,1-2H3
InChIKeyUDTUBNJJGWOPBK-UHFFFAOYSA-N
XLogP3.82
TPSA86.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-[2-(2,3-dihydro-1,4-benzodioxin-6-yloxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 46960370
6-chloro-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735171
4-methyl-7-[2-oxo-2-(6-phenylspiro[chromene-2,4'-piperidine]-1'-yl)ethoxy]chromen-2-one
CID 108730429
1'-butanoyl-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734528
1'-[2-(4-chloro-3-methylphenoxy)acetyl]-6,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758251
1'-[2-(2,5-dichlorophenoxy)acetyl]-6-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757863
6-methyl-1'-[2-(2-nitrophenoxy)acetyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108734546
6-methoxy-1'-[2-(3-methylphenoxy)acetyl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108746498
6-methoxy-1'-(2-phenoxyacetyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770200
N-(2,2-dimethyl-4-oxo-3H-chromen-6-yl)-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 108743056
6-methyl-1'-(4-naphthalen-2-yloxybutanoyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108757875
7-[2-[8-(4-acetylbenzoyl)-2,8-diazaspiro[4.5]decan-2-yl]-2-oxoethoxy]-4-methylchromen-2-one
CID 3852542

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108734544) is 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)COc3ccc4c(C)cc(=O)oc4c3)CC1)O2.
What is the InChIKey of 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is UDTUBNJJGWOPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO6/c1-16-3-6-22-20(11-16)21(28)14-26(33-22)7-9-27(10-8-26)24(29)15-31-18-4-5-19-17(2)12-25(30)32-23(19)13-18/h3-6,11-13H,7-10,14-15H2,1-2H3.
What are the key properties of 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one?
6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 447.49 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1'-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108734544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).