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

C17H21NO3 — CID 53304516

IUPAC7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
SMILESCC1CCCCN1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H21NO3/c1-13-4-2-3-9-18(13)10-11-20-15-7-5-14-6-8-17(19)21-16(14)12-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyVTZZJCPBRFDCIZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.05
Rot. Bonds4

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

7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one (PubChem CID 53304516) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one.

Molecular Properties

Compound Name7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
PubChem CID53304516
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one
SMILESCC1CCCCN1CCOc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C17H21NO3/c1-13-4-2-3-9-18(13)10-11-20-15-7-5-14-6-8-17(19)21-16(14)12-15/h5-8,12-13H,2-4,9-11H2,1H3
InChIKeyVTZZJCPBRFDCIZ-UHFFFAOYSA-N
XLogP3.05
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.05
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 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The IUPAC name of 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one (CID 53304516) is 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one.
What is the SMILES notation for 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The canonical SMILES for 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one is CC1CCCCN1CCOc1ccc2ccc(=O)oc2c1.
What is the InChIKey of 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
The InChIKey is VTZZJCPBRFDCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-4-2-3-9-18(13)10-11-20-15-7-5-14-6-8-17(19)21-16(14)12-15/h5-8,12-13H,2-4,9-11H2,1H3.
What are the key properties of 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one?
7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one has a molecular weight of 287.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2-methylpiperidin-1-yl)ethoxy]chromen-2-one is sourced from PubChem (CID 53304516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).