3-methoxy-8-piperazin-1-ylchromen-2-one

C14H16N2O3 — CID 22355300

IUPAC3-methoxy-8-piperazin-1-ylchromen-2-one
SMILESCOc1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H16N2O3/c1-18-12-9-10-3-2-4-11(13(10)19-14(12)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3
InChIKeyXUPBPPULNYBKJL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.21
Rot. Bonds2

About 3-methoxy-8-piperazin-1-ylchromen-2-one

3-methoxy-8-piperazin-1-ylchromen-2-one (PubChem CID 22355300) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-methoxy-8-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-methoxy-8-piperazin-1-ylchromen-2-one
PubChem CID22355300
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-methoxy-8-piperazin-1-ylchromen-2-one
SMILESCOc1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H16N2O3/c1-18-12-9-10-3-2-4-11(13(10)19-14(12)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3
InChIKeyXUPBPPULNYBKJL-UHFFFAOYSA-N
XLogP1.21
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-methoxy-8-piperazin-1-ylchromen-2-one (CID 22355300) is 3-methoxy-8-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-methoxy-8-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-methoxy-8-piperazin-1-ylchromen-2-one is COc1cc2cccc(N3CCNCC3)c2oc1=O.
What is the InChIKey of 3-methoxy-8-piperazin-1-ylchromen-2-one?
The InChIKey is XUPBPPULNYBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-12-9-10-3-2-4-11(13(10)19-14(12)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 3-methoxy-8-piperazin-1-ylchromen-2-one?
3-methoxy-8-piperazin-1-ylchromen-2-one has a molecular weight of 260.29 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 22355300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).