1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione

C24H28N4O3 — CID 45482876

IUPAC1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O3/c1-31-22-11-6-5-10-21(22)26-18-16-25(17-19-26)14-7-15-27-23(29)12-13-24(30)28(27)20-8-3-2-4-9-20/h2-6,8-13H,7,14-19H2,1H3
InChIKeyGBFVASGLDJOASI-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.22
Rot. Bonds7

About 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione

1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione (PubChem CID 45482876) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione.

Molecular Properties

Compound Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione
PubChem CID45482876
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione
SMILESCOc1ccccc1N1CCN(CCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1
InChIInChI=1S/C24H28N4O3/c1-31-22-11-6-5-10-21(22)26-18-16-25(17-19-26)14-7-15-27-23(29)12-13-24(30)28(27)20-8-3-2-4-9-20/h2-6,8-13H,7,14-19H2,1H3
InChIKeyGBFVASGLDJOASI-UHFFFAOYSA-N
XLogP2.22
TPSA59.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione?
The IUPAC name of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione (CID 45482876) is 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione.
What is the SMILES notation for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione?
The canonical SMILES for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione is COc1ccccc1N1CCN(CCCn2c(=O)ccc(=O)n2-c2ccccc2)CC1.
What is the InChIKey of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione?
The InChIKey is GBFVASGLDJOASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-31-22-11-6-5-10-21(22)26-18-16-25(17-19-26)14-7-15-27-23(29)12-13-24(30)28(27)20-8-3-2-4-9-20/h2-6,8-13H,7,14-19H2,1H3.
What are the key properties of 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione?
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione has a molecular weight of 420.51 g/mol, XLogP of 2.22, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-phenylpyridazine-3,6-dione is sourced from PubChem (CID 45482876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).