8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one

C17H19NO4 — CID 709816

IUPAC8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12
InChIInChI=1S/C17H19NO4/c1-11-6-8-18(9-7-11)16(19)13-10-12-4-3-5-14(21-2)15(12)22-17(13)20/h3-5,10-11H,6-9H2,1-2H3
InChIKeyAKKDFYOAHOQFEY-UHFFFAOYSA-N
MW301.34 g/mol
LogP2.67
Rot. Bonds2

About 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one

8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one (PubChem CID 709816) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
PubChem CID709816
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Name8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one
SMILESCOc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12
InChIInChI=1S/C17H19NO4/c1-11-6-8-18(9-7-11)16(19)13-10-12-4-3-5-14(21-2)15(12)22-17(13)20/h3-5,10-11H,6-9H2,1-2H3
InChIKeyAKKDFYOAHOQFEY-UHFFFAOYSA-N
XLogP2.67
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.67
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

3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
8-Allyl-3-(morpholine-4-carbonyl)-chromen-2-one
CID 1108244
8-Ethoxy-3-(morpholin-4-ylcarbonyl)chromen-2-one
CID 1247427
ethyl 1-(2-oxo-2H-chromene-3-carbonyl)piperidine-4-carboxylate
CID 1505053
8-methoxy-2-oxo-N-prop-2-enylchromene-3-carboxamide
CID 2146230
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methoxy-2-oxo-2H-chromene-3-carboxamide
CID 2235367
N-benzyl-N-ethyl-2-oxo-2H-chromene-3-carboxamide
CID 2985537
[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
ethyl 1-[2-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 6068686

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The IUPAC name of 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one (CID 709816) is 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The canonical SMILES for 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one is COc1cccc2cc(C(=O)N3CCC(C)CC3)c(=O)oc12.
What is the InChIKey of 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
The InChIKey is AKKDFYOAHOQFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4/c1-11-6-8-18(9-7-11)16(19)13-10-12-4-3-5-14(21-2)15(12)22-17(13)20/h3-5,10-11H,6-9H2,1-2H3.
What are the key properties of 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one?
8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one has a molecular weight of 301.34 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methylpiperidine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 709816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).