methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate

C19H23NO4 — CID 166035063

IUPACmethyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
SMILESCOC(=O)c1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12
InChIInChI=1S/C19H23NO4/c1-12-9-13-15(21)11-16(20-7-5-19(2,3)6-8-20)24-17(13)14(10-12)18(22)23-4/h9-11H,5-8H2,1-4H3
InChIKeyQQHZEJVCSXIHSC-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.51
Rot. Bonds2

About methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate

methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate (PubChem CID 166035063) has the molecular formula C19H23NO4 and a molecular weight of 329.40 g/mol. Its IUPAC name is methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
PubChem CID166035063
Molecular FormulaC19H23NO4
Molecular Weight329.40 g/mol
Exact Mass329.16
IUPAC Namemethyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate
SMILESCOC(=O)c1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12
InChIInChI=1S/C19H23NO4/c1-12-9-13-15(21)11-16(20-7-5-19(2,3)6-8-20)24-17(13)14(10-12)18(22)23-4/h9-11H,5-8H2,1-4H3
InChIKeyQQHZEJVCSXIHSC-UHFFFAOYSA-N
XLogP3.51
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate?
The IUPAC name of methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate (CID 166035063) is methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate.
What is the SMILES notation for methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate?
The canonical SMILES for methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate is COC(=O)c1cc(C)cc2c(=O)cc(N3CCC(C)(C)CC3)oc12.
What is the InChIKey of methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate?
The InChIKey is QQHZEJVCSXIHSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4/c1-12-9-13-15(21)11-16(20-7-5-19(2,3)6-8-20)24-17(13)14(10-12)18(22)23-4/h9-11H,5-8H2,1-4H3.
What are the key properties of methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate?
methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,4-dimethylpiperidin-1-yl)-6-methyl-4-oxochromene-8-carboxylate is sourced from PubChem (CID 166035063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).