7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one

C24H28N2O4 — CID 10250895

IUPAC7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyWYYRWPAVRAAIOL-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.70
Rot. Bonds7

About 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one

7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one (PubChem CID 10250895) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
PubChem CID10250895
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3
InChIKeyWYYRWPAVRAAIOL-UHFFFAOYSA-N
XLogP3.70
TPSA55.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.70
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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Frequently Asked Questions

What is the IUPAC name of 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one (CID 10250895) is 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one is COc1ccccc1N1CCN(CCCOc2ccc3c(C)cc(=O)oc3c2)CC1.
What is the InChIKey of 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one?
The InChIKey is WYYRWPAVRAAIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-18-16-24(27)30-23-17-19(8-9-20(18)23)29-15-5-10-25-11-13-26(14-12-25)21-6-3-4-7-22(21)28-2/h3-4,6-9,16-17H,5,10-15H2,1-2H3.
What are the key properties of 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one?
7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one has a molecular weight of 408.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]-4-methylchromen-2-one is sourced from PubChem (CID 10250895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).