4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one

C18H21NO4 — CID 975698

IUPAC4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C18H21NO4/c1-12-5-7-19(8-6-12)17(20)11-22-14-3-4-16-15(10-14)13(2)9-18(21)23-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyINCKOMOUIOGUJF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.74
Rot. Bonds3

About 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one

4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one (PubChem CID 975698) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
PubChem CID975698
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
SMILESCc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12
InChIInChI=1S/C18H21NO4/c1-12-5-7-19(8-6-12)17(20)11-22-14-3-4-16-15(10-14)13(2)9-18(21)23-16/h3-4,9-10,12H,5-8,11H2,1-2H3
InChIKeyINCKOMOUIOGUJF-UHFFFAOYSA-N
XLogP2.74
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2-Methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one
CID 3936970
Morpholine, 1-((2,5-dimethylphenoxy)acetyl)-
CID 920934
Ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
CID 773942
6-Hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
CID 946346
1-(2-((4,7-dimethyl-2-oxo-2H-chromen-5-yl)oxy)acetyl)piperidine-4-carboxylic acid
CID 1776228
7-Ethyl-4-(morpholin-4-ylmethyl)chromen-2-one
CID 2121918
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 4248118
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-oxochromene-3-carboxylate
CID 4421749
[2-(3,5-Dimethylpiperidin-1-yl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4858604
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686
6-methoxy-4-(morpholin-4-ylmethyl)-2H-chromen-2-one
CID 6462427
(2-oxo-2-pyrrolidin-1-ylethyl) (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7654011

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The IUPAC name of 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one (CID 975698) is 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one is Cc1cc(=O)oc2ccc(OCC(=O)N3CCC(C)CC3)cc12.
What is the InChIKey of 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
The InChIKey is INCKOMOUIOGUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-12-5-7-19(8-6-12)17(20)11-22-14-3-4-16-15(10-14)13(2)9-18(21)23-16/h3-4,9-10,12H,5-8,11H2,1-2H3.
What are the key properties of 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one?
4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one has a molecular weight of 315.37 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).