8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one

C22H23NO5 — CID 2938022

IUPAC8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12
InChIInChI=1S/C22H23NO5/c1-14-7-9-23(10-8-14)21(24)13-27-16-4-6-18-17-5-3-15(26-2)11-19(17)22(25)28-20(18)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyLMNTXJXHDJBQAI-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.59
Rot. Bonds4

About 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one

8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one (PubChem CID 2938022) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one.

Molecular Properties

Compound Name8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
PubChem CID2938022
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC Name8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one
SMILESCOc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12
InChIInChI=1S/C22H23NO5/c1-14-7-9-23(10-8-14)21(24)13-27-16-4-6-18-17-5-3-15(26-2)11-19(17)22(25)28-20(18)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3
InChIKeyLMNTXJXHDJBQAI-UHFFFAOYSA-N
XLogP3.59
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'coumarin_A(2)', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetate
CID 4914742
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 7420701
3-(3,3-dimethyl-2-oxobutoxy)-8-methoxybenzo[c]chromen-6-one
CID 1332673
N,N-diethyl-2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxyacetamide
CID 1072484
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxy-N-(oxolan-2-ylmethyl)acetamide
CID 4914850
2-(3,4-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 797864
8-methoxy-3-[(4-methoxyphenyl)methoxy]benzo[c]chromen-6-one
CID 1347567
2-(8-methoxy-6-oxobenzo[c]chromen-3-yl)oxypropanoic acid
CID 2906441
2-(6-methoxy-1-benzofuran-3-yl)-1-[(4R)-4-methylazepan-1-yl]ethanone
CID 95138656
2-(4-bromo-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 730217
2-(4-chloro-3-methylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 883850
2-[(2,4-dimethoxyphenyl)methylidene]-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-1-benzofuran-3-one
CID 4904265

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one?
The IUPAC name of 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one (CID 2938022) is 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one.
What is the SMILES notation for 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one?
The canonical SMILES for 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one is COc1ccc2c(c1)c(=O)oc1cc(OCC(=O)N3CCC(C)CC3)ccc12.
What is the InChIKey of 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one?
The InChIKey is LMNTXJXHDJBQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14-7-9-23(10-8-14)21(24)13-27-16-4-6-18-17-5-3-15(26-2)11-19(17)22(25)28-20(18)12-16/h3-6,11-12,14H,7-10,13H2,1-2H3.
What are the key properties of 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one?
8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one has a molecular weight of 381.43 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]benzo[c]chromen-6-one is sourced from PubChem (CID 2938022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).