4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one

C18H23NO3 — CID 53304517

IUPAC4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCCCC3C)ccc12
InChIInChI=1S/C18H23NO3/c1-13-11-18(20)22-17-12-15(6-7-16(13)17)21-10-9-19-8-4-3-5-14(19)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyAKPHIGNGENKJML-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.35
Rot. Bonds4

About 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one

4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one (PubChem CID 53304517) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
PubChem CID53304517
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCCCC3C)ccc12
InChIInChI=1S/C18H23NO3/c1-13-11-18(20)22-17-12-15(6-7-16(13)17)21-10-9-19-8-4-3-5-14(19)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3
InChIKeyAKPHIGNGENKJML-UHFFFAOYSA-N
XLogP3.35
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The IUPAC name of 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one (CID 53304517) is 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The canonical SMILES for 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one is Cc1cc(=O)oc2cc(OCCN3CCCCC3C)ccc12.
What is the InChIKey of 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The InChIKey is AKPHIGNGENKJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13-11-18(20)22-17-12-15(6-7-16(13)17)21-10-9-19-8-4-3-5-14(19)2/h6-7,11-12,14H,3-5,8-10H2,1-2H3.
What are the key properties of 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one has a molecular weight of 301.39 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 53304517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).