7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C19H21NO4 — CID 723335

IUPAC7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCCC1
InChIInChI=1S/C19H21NO4/c21-18(20-9-2-1-3-10-20)12-23-13-7-8-15-14-5-4-6-16(14)19(22)24-17(15)11-13/h7-8,11H,1-6,9-10,12H2
InChIKeyUHEGPNOYQKHRRF-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.67
Rot. Bonds3

About 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 723335) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID723335
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESO=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCCC1
InChIInChI=1S/C19H21NO4/c21-18(20-9-2-1-3-10-20)12-23-13-7-8-15-14-5-4-6-16(14)19(22)24-17(15)11-13/h7-8,11H,1-6,9-10,12H2
InChIKeyUHEGPNOYQKHRRF-UHFFFAOYSA-N
XLogP2.67
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
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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Frequently Asked Questions

What is the IUPAC name of 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 723335) is 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)N1CCCCC1.
What is the InChIKey of 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is UHEGPNOYQKHRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c21-18(20-9-2-1-3-10-20)12-23-13-7-8-15-14-5-4-6-16(14)19(22)24-17(15)11-13/h7-8,11H,1-6,9-10,12H2.
What are the key properties of 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 327.38 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-oxo-2-piperidin-1-ylethoxy)-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 723335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).