7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one

C24H28N2O4 — CID 56971555

IUPAC7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-17-29-20-10-8-19-9-11-24(27)30-23(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyJKWRGSOYBLOWMU-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.78
Rot. Bonds8

About 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one

7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one (PubChem CID 56971555) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one.

Molecular Properties

Compound Name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one
PubChem CID56971555
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one
SMILESCOc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-17-29-20-10-8-19-9-11-24(27)30-23(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3
InChIKeyJKWRGSOYBLOWMU-UHFFFAOYSA-N
XLogP3.78
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Ensaculin hydrochloride
CID 6918282
7-Methoxy-6-(3-(4-(2-methoxyphenyl)-1-piperazinyl)propoxy)-3,4-dimethyl-2H-1-benzopyran-2-one
CID 208923
7-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
CID 10250895
4-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10317514
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 56966475
7-[3-(4-Phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 9976024
3-Methyl-7-[3-(4-phenyl-piperazin-1-yl)-propoxy]-chromen-2-one
CID 10384998
7-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]-4-methylchromen-2-one
CID 56971556
4,7-Dimethyl-5-[4-[4-(3-methoxyphenyl)piperazin-1-yl]butoxy]coumarin
CID 129840972
8-Acetyl-7-[4-[4-(2-fluorophenyl)piperazin-1-yl]butoxy]-4-methylchromen-2-one
CID 145961730
8-Acetyl-7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]-4-methylchromen-2-one
CID 145970782
8-Acetyl-7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
CID 145973003

Frequently Asked Questions

What is the IUPAC name of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one?
The IUPAC name of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one (CID 56971555) is 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one.
What is the SMILES notation for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one?
The canonical SMILES for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one is COc1ccccc1N1CCN(CCCCOc2ccc3ccc(=O)oc3c2)CC1.
What is the InChIKey of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one?
The InChIKey is JKWRGSOYBLOWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-28-22-7-3-2-6-21(22)26-15-13-25(14-16-26)12-4-5-17-29-20-10-8-19-9-11-24(27)30-23(19)18-20/h2-3,6-11,18H,4-5,12-17H2,1H3.
What are the key properties of 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one?
7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]chromen-2-one is sourced from PubChem (CID 56971555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).