3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one

C21H20N2O3 — CID 110741146

IUPAC3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
SMILESCC1CN(c2ccccc2)CCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O3/c1-15-14-22(17-8-3-2-4-9-17)11-12-23(15)20(24)18-13-16-7-5-6-10-19(16)26-21(18)25/h2-10,13,15H,11-12,14H2,1H3
InChIKeyWNNJLTQOWSHEHT-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.14
Rot. Bonds2

About 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one

3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one (PubChem CID 110741146) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one.

Molecular Properties

Compound Name3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
PubChem CID110741146
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one
SMILESCC1CN(c2ccccc2)CCN1C(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C21H20N2O3/c1-15-14-22(17-8-3-2-4-9-17)11-12-23(15)20(24)18-13-16-7-5-6-10-19(16)26-21(18)25/h2-10,13,15H,11-12,14H2,1H3
InChIKeyWNNJLTQOWSHEHT-UHFFFAOYSA-N
XLogP3.14
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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2-oxochromene-3-carboxylic acid
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3-[4-(3,4-dimethylphenyl)piperazine-1-carbonyl]chromen-2-one
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3-(azepane-1-carbonyl)chromen-2-one
CID 716526
(1R,4R)-5-(2-oxochromene-3-carbonyl)-2-oxa-5-azabicyclo[2.2.1]heptan-3-one
CID 95985334
N-benzyl-2-methyl-4-phenylpiperazine-1-carboxamide
CID 110746835
3-(2-phenylmorpholine-4-carbonyl)chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one?
The IUPAC name of 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one (CID 110741146) is 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one.
What is the SMILES notation for 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one?
The canonical SMILES for 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one is CC1CN(c2ccccc2)CCN1C(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one?
The InChIKey is WNNJLTQOWSHEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-15-14-22(17-8-3-2-4-9-17)11-12-23(15)20(24)18-13-16-7-5-6-10-19(16)26-21(18)25/h2-10,13,15H,11-12,14H2,1H3.
What are the key properties of 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one?
3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one has a molecular weight of 348.40 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylpiperazine-1-carbonyl)chromen-2-one is sourced from PubChem (CID 110741146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).