4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one

C15H16N2O4 — CID 2657102

IUPAC4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
SMILESCOc1ccc2c(CN3CCNC(=O)C3)cc(=O)oc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-2-3-12-10(6-15(19)21-13(12)7-11)8-17-5-4-16-14(18)9-17/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyGAVCLFVMHJVFNZ-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.73
Rot. Bonds3

About 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one

4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one (PubChem CID 2657102) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
PubChem CID2657102
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
SMILESCOc1ccc2c(CN3CCNC(=O)C3)cc(=O)oc2c1
InChIInChI=1S/C15H16N2O4/c1-20-11-2-3-12-10(6-15(19)21-13(12)7-11)8-17-5-4-16-14(18)9-17/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18)
InChIKeyGAVCLFVMHJVFNZ-UHFFFAOYSA-N
XLogP0.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(7-hydroxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 27215307
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
1-[(7-methoxy-2-oxochromen-4-yl)methyl]pyrrolidine-2,5-dione
CID 7819577
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-7-methoxychromen-2-one
CID 11940249
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 3570603
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
1-[(7-methoxy-2-oxochromen-4-yl)methyl]-3-methylimidazolidine-2,4,5-trione
CID 7756897
7-methoxy-4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8590683
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
3-[(7-methoxy-2-oxochromen-4-yl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 3886642
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 2690477

Frequently Asked Questions

What is the IUPAC name of 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The IUPAC name of 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one (CID 2657102) is 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one.
What is the SMILES notation for 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The canonical SMILES for 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one is COc1ccc2c(CN3CCNC(=O)C3)cc(=O)oc2c1.
What is the InChIKey of 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
The InChIKey is GAVCLFVMHJVFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-11-2-3-12-10(6-15(19)21-13(12)7-11)8-17-5-4-16-14(18)9-17/h2-3,6-7H,4-5,8-9H2,1H3,(H,16,18).
What are the key properties of 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one?
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one has a molecular weight of 288.30 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one is sourced from PubChem (CID 2657102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).