ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate

C19H23NO5 — CID 71528782

IUPACethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O
InChIInChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQTQDHWGTTQQNRE-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.83
Rot. Bonds6

About ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate

ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate (PubChem CID 71528782) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate
PubChem CID71528782
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Nameethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate
SMILESCCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O
InChIInChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3
InChIKeyQTQDHWGTTQQNRE-UHFFFAOYSA-N
XLogP2.83
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate?
The IUPAC name of ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate (CID 71528782) is ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate.
What is the SMILES notation for ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate?
The canonical SMILES for ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate is CCOC(=O)c1cc2ccc(OCCN3CCCCC3)cc2oc1=O.
What is the InChIKey of ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate?
The InChIKey is QTQDHWGTTQQNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-2-23-18(21)16-12-14-6-7-15(13-17(14)25-19(16)22)24-11-10-20-8-4-3-5-9-20/h6-7,12-13H,2-5,8-11H2,1H3.
What are the key properties of ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate?
ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate has a molecular weight of 345.40 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-7-(2-piperidin-1-ylethoxy)chromene-3-carboxylate is sourced from PubChem (CID 71528782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).