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

C14H16N2O2 — CID 22355296

IUPAC3-methyl-8-piperazin-1-ylchromen-2-one
SMILESCc1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H16N2O2/c1-10-9-11-3-2-4-12(13(11)18-14(10)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3
InChIKeyCGOFIPDQVFVWBQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.51
Rot. Bonds1

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

3-methyl-8-piperazin-1-ylchromen-2-one (PubChem CID 22355296) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-methyl-8-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-methyl-8-piperazin-1-ylchromen-2-one
PubChem CID22355296
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-methyl-8-piperazin-1-ylchromen-2-one
SMILESCc1cc2cccc(N3CCNCC3)c2oc1=O
InChIInChI=1S/C14H16N2O2/c1-10-9-11-3-2-4-12(13(11)18-14(10)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3
InChIKeyCGOFIPDQVFVWBQ-UHFFFAOYSA-N
XLogP1.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.51
H-Bond Donors ≤ 51
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 3-methyl-8-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-methyl-8-piperazin-1-ylchromen-2-one (CID 22355296) is 3-methyl-8-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-methyl-8-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-methyl-8-piperazin-1-ylchromen-2-one is Cc1cc2cccc(N3CCNCC3)c2oc1=O.
What is the InChIKey of 3-methyl-8-piperazin-1-ylchromen-2-one?
The InChIKey is CGOFIPDQVFVWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-10-9-11-3-2-4-12(13(11)18-14(10)17)16-7-5-15-6-8-16/h2-4,9,15H,5-8H2,1H3.
What are the key properties of 3-methyl-8-piperazin-1-ylchromen-2-one?
3-methyl-8-piperazin-1-ylchromen-2-one has a molecular weight of 244.29 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 22355296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).