7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one

C17H22N2O4 — CID 16735139

IUPAC7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one
SMILESCCOCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C
InChIInChI=1S/C17H22N2O4/c1-3-21-11-22-15-5-4-13-14(19-8-6-18-7-9-19)10-16(20)23-17(13)12(15)2/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyDPZDZZVWSUMYBQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP1.88
Rot. Bonds5

About 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one

7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one (PubChem CID 16735139) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one
PubChem CID16735139
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Name7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one
SMILESCCOCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C
InChIInChI=1S/C17H22N2O4/c1-3-21-11-22-15-5-4-13-14(19-8-6-18-7-9-19)10-16(20)23-17(13)12(15)2/h4-5,10,18H,3,6-9,11H2,1-2H3
InChIKeyDPZDZZVWSUMYBQ-UHFFFAOYSA-N
XLogP1.88
TPSA63.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(Z)-but-2-enedioic acid;8-methyl-7-(2-methylsulfanylethoxy)-4-piperazin-1-ylchromen-2-one
CID 16735140
[(3S,4S,5R,6R)-5-hydroxy-3-methoxy-2,2-dimethyl-6-(8-methyl-2-oxo-4-piperazin-1-ylchromen-7-yl)oxyoxan-4-yl] 5-methyl-1H-pyrrole-2-carboxylate
CID 101112592
2-(4-ethyl-8-methyl-2-oxochromen-7-yl)oxyacetamide
CID 770817
8-methyl-7-prop-2-enoxy-4-propylchromen-2-one
CID 23459774
4-ethyl-7-[(2-fluorophenyl)methoxy]-8-methylchromen-2-one
CID 881970
7-[(2-ethoxyphenyl)methoxy]-4,8-dimethylchromen-2-one
CID 8563743
8-methyl-7-[2-oxo-2-(4-pyrrolidin-1-ylphenyl)ethoxy]-4-propylchromen-2-one
CID 2205601
methyl 2-(8-methyl-2-oxo-4-propylchromen-7-yl)oxyacetate
CID 4914970
7-[(3,4-dichlorophenyl)methoxy]-4-ethyl-8-methylchromen-2-one
CID 2299030
1-(4-ethyl-2,3-dimethylphenyl)piperazine
CID 138531661
4-butyl-8-methyl-7-phenylmethoxychromen-2-one
CID 2902407
1-[4-(2-ethoxyethoxy)-3-methylphenyl]piperazine
CID 63214688

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one?
The IUPAC name of 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one (CID 16735139) is 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one?
The canonical SMILES for 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one is CCOCOc1ccc2c(N3CCNCC3)cc(=O)oc2c1C.
What is the InChIKey of 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one?
The InChIKey is DPZDZZVWSUMYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-3-21-11-22-15-5-4-13-14(19-8-6-18-7-9-19)10-16(20)23-17(13)12(15)2/h4-5,10,18H,3,6-9,11H2,1-2H3.
What are the key properties of 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one?
7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one has a molecular weight of 318.37 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethoxy)-8-methyl-4-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 16735139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).