7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one

C24H26N2O3 — CID 3570603

IUPAC7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(CC=Cc4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H26N2O3/c1-28-21-9-10-22-20(16-24(27)29-23(22)17-21)18-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3
InChIKeyFGTDOHLCJDJNJU-UHFFFAOYSA-N
MW390.48 g/mol
LogP3.63
Rot. Bonds6

About 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one

7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one (PubChem CID 3570603) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
PubChem CID3570603
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
SMILESCOc1ccc2c(CN3CCN(CC=Cc4ccccc4)CC3)cc(=O)oc2c1
InChIInChI=1S/C24H26N2O3/c1-28-21-9-10-22-20(16-24(27)29-23(22)17-21)18-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3
InChIKeyFGTDOHLCJDJNJU-UHFFFAOYSA-N
XLogP3.63
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxy-4-[[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methyl]chromen-2-one
CID 2036508
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
7-methoxy-4-[[4-(2-methylpropanoyl)piperazin-1-yl]methyl]chromen-2-one
CID 46563126
5,7-dimethyl-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one
CID 665940
7-methoxy-4-[(4-naphthalen-2-ylsulfonylpiperazin-1-yl)methyl]chromen-2-one
CID 4263411
4-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-7-methoxychromen-2-one
CID 8760387
4-[(7-methoxy-2-oxochromen-4-yl)methyl]piperazin-2-one
CID 2657102
4-[[4-(1-hydroxybutan-2-yl)piperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 111497009
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-(4-nitrophenyl)piperazin-1-yl]methyl]chromen-2-one
CID 8590683
4-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-7-methoxychromen-2-one
CID 2690477

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one (CID 3570603) is 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one is COc1ccc2c(CN3CCN(CC=Cc4ccccc4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one?
The InChIKey is FGTDOHLCJDJNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-28-21-9-10-22-20(16-24(27)29-23(22)17-21)18-26-14-12-25(13-15-26)11-5-8-19-6-3-2-4-7-19/h2-10,16-17H,11-15,18H2,1H3.
What are the key properties of 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one?
7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one has a molecular weight of 390.48 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 3570603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).