8-phenyl-2-piperazin-2-ylchromen-4-one

C19H18N2O2 — CID 67286582

IUPAC8-phenyl-2-piperazin-2-ylchromen-4-one
SMILESO=c1cc(C2CNCCN2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H18N2O2/c22-17-11-18(16-12-20-9-10-21-16)23-19-14(7-4-8-15(17)19)13-5-2-1-3-6-13/h1-8,11,16,20-21H,9-10,12H2
InChIKeyQJGXCMKZLSZEKV-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.69
Rot. Bonds2

About 8-phenyl-2-piperazin-2-ylchromen-4-one

8-phenyl-2-piperazin-2-ylchromen-4-one (PubChem CID 67286582) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 8-phenyl-2-piperazin-2-ylchromen-4-one.

Molecular Properties

Compound Name8-phenyl-2-piperazin-2-ylchromen-4-one
PubChem CID67286582
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name8-phenyl-2-piperazin-2-ylchromen-4-one
SMILESO=c1cc(C2CNCCN2)oc2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H18N2O2/c22-17-11-18(16-12-20-9-10-21-16)23-19-14(7-4-8-15(17)19)13-5-2-1-3-6-13/h1-8,11,16,20-21H,9-10,12H2
InChIKeyQJGXCMKZLSZEKV-UHFFFAOYSA-N
XLogP2.69
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 8-phenyl-2-piperazin-2-ylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-phenyl-2-piperazin-2-ylchromen-4-one?
The IUPAC name of 8-phenyl-2-piperazin-2-ylchromen-4-one (CID 67286582) is 8-phenyl-2-piperazin-2-ylchromen-4-one.
What is the SMILES notation for 8-phenyl-2-piperazin-2-ylchromen-4-one?
The canonical SMILES for 8-phenyl-2-piperazin-2-ylchromen-4-one is O=c1cc(C2CNCCN2)oc2c(-c3ccccc3)cccc12.
What is the InChIKey of 8-phenyl-2-piperazin-2-ylchromen-4-one?
The InChIKey is QJGXCMKZLSZEKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-17-11-18(16-12-20-9-10-21-16)23-19-14(7-4-8-15(17)19)13-5-2-1-3-6-13/h1-8,11,16,20-21H,9-10,12H2.
What are the key properties of 8-phenyl-2-piperazin-2-ylchromen-4-one?
8-phenyl-2-piperazin-2-ylchromen-4-one has a molecular weight of 306.37 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenyl-2-piperazin-2-ylchromen-4-one is sourced from PubChem (CID 67286582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).