2-[phenyl(piperazin-1-yl)methyl]chromen-4-one

C20H20N2O2 — CID 67035950

IUPAC2-[phenyl(piperazin-1-yl)methyl]chromen-4-one
SMILESO=c1cc(C(c2ccccc2)N2CCNCC2)oc2ccccc12
InChIInChI=1S/C20H20N2O2/c23-17-14-19(24-18-9-5-4-8-16(17)18)20(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h1-9,14,20-21H,10-13H2
InChIKeyQODPIKISBNYKFY-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.79
Rot. Bonds3

About 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one

2-[phenyl(piperazin-1-yl)methyl]chromen-4-one (PubChem CID 67035950) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one.

Molecular Properties

Compound Name2-[phenyl(piperazin-1-yl)methyl]chromen-4-one
PubChem CID67035950
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[phenyl(piperazin-1-yl)methyl]chromen-4-one
SMILESO=c1cc(C(c2ccccc2)N2CCNCC2)oc2ccccc12
InChIInChI=1S/C20H20N2O2/c23-17-14-19(24-18-9-5-4-8-16(17)18)20(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h1-9,14,20-21H,10-13H2
InChIKeyQODPIKISBNYKFY-UHFFFAOYSA-N
XLogP2.79
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one?
The IUPAC name of 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one (CID 67035950) is 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one.
What is the SMILES notation for 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one?
The canonical SMILES for 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one is O=c1cc(C(c2ccccc2)N2CCNCC2)oc2ccccc12.
What is the InChIKey of 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one?
The InChIKey is QODPIKISBNYKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c23-17-14-19(24-18-9-5-4-8-16(17)18)20(15-6-2-1-3-7-15)22-12-10-21-11-13-22/h1-9,14,20-21H,10-13H2.
What are the key properties of 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one?
2-[phenyl(piperazin-1-yl)methyl]chromen-4-one has a molecular weight of 320.39 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl(piperazin-1-yl)methyl]chromen-4-one is sourced from PubChem (CID 67035950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).