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

C21H22N2O2 — CID 44561860

IUPAC6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-20-17(13-15)19(14-21(24)25-20)23-11-9-22(10-12-23)18-6-4-3-5-16(18)2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyWISLSRMHRCKWLA-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.74
Rot. Bonds2

About 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one

6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one (PubChem CID 44561860) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one.

Molecular Properties

Compound Name6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one
PubChem CID44561860
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one
SMILESCc1ccc2oc(=O)cc(N3CCN(c4ccccc4C)CC3)c2c1
InChIInChI=1S/C21H22N2O2/c1-15-7-8-20-17(13-15)19(14-21(24)25-20)23-11-9-22(10-12-23)18-6-4-3-5-16(18)2/h3-8,13-14H,9-12H2,1-2H3
InChIKeyWISLSRMHRCKWLA-UHFFFAOYSA-N
XLogP3.74
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.74
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-(2-methylphenyl)piperazin-1-yl]chromen-2-one?
The IUPAC name of 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one (CID 44561860) is 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one.
What is the SMILES notation for 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one?
The canonical SMILES for 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one is Cc1ccc2oc(=O)cc(N3CCN(c4ccccc4C)CC3)c2c1.
What is the InChIKey of 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one?
The InChIKey is WISLSRMHRCKWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-15-7-8-20-17(13-15)19(14-21(24)25-20)23-11-9-22(10-12-23)18-6-4-3-5-16(18)2/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of 6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one?
6-methyl-4-[4-(2-methylphenyl)piperazin-1-yl]chromen-2-one has a molecular weight of 334.42 g/mol, XLogP of 3.74, 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-(2-methylphenyl)piperazin-1-yl]chromen-2-one is sourced from PubChem (CID 44561860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).