6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one

C20H20N2O2 — CID 25141417

IUPAC6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20N2O2/c1-15-7-8-19-17(13-15)18(14-20(23)24-19)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyFYWXEEJKGHDKBJ-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.43
Rot. Bonds2

About 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one

6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one (PubChem CID 25141417) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one
PubChem CID25141417
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCN(c4ccccc4)CC3)c2c1
InChIInChI=1S/C20H20N2O2/c1-15-7-8-19-17(13-15)18(14-20(23)24-19)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3
InChIKeyFYWXEEJKGHDKBJ-UHFFFAOYSA-N
XLogP3.43
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.43
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 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one (CID 25141417) is 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one is Cc1ccc2oc(=O)cc(N3CCN(c4ccccc4)CC3)c2c1.
What is the InChIKey of 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one?
The InChIKey is FYWXEEJKGHDKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-15-7-8-19-17(13-15)18(14-20(23)24-19)22-11-9-21(10-12-22)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3.
What are the key properties of 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one?
6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one has a molecular weight of 320.39 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(4-phenylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 25141417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).