4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one

C17H21NO3 — CID 915272

IUPAC4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyHXLHJAZHIGHCJV-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.97
Rot. Bonds4

About 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one

4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one (PubChem CID 915272) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one.

Molecular Properties

Compound Name4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
PubChem CID915272
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Name4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one
SMILESCc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12
InChIInChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3
InChIKeyHXLHJAZHIGHCJV-UHFFFAOYSA-N
XLogP2.97
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 ≤ 52.97
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-piperidin-1-ylethoxy)chromen-2-one?
The IUPAC name of 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one (CID 915272) is 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one.
What is the SMILES notation for 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
The canonical SMILES for 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one is Cc1cc(=O)oc2cc(OCCN3CCCCC3)ccc12.
What is the InChIKey of 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
The InChIKey is HXLHJAZHIGHCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-13-11-17(19)21-16-12-14(5-6-15(13)16)20-10-9-18-7-3-2-4-8-18/h5-6,11-12H,2-4,7-10H2,1H3.
What are the key properties of 4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one?
4-methyl-7-(2-piperidin-1-ylethoxy)chromen-2-one has a molecular weight of 287.36 g/mol, XLogP of 2.97, 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-piperidin-1-ylethoxy)chromen-2-one is sourced from PubChem (CID 915272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).