2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one

C23H24N4O2 — CID 3432247

IUPAC2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(26-17-15-25(16-18-26)20-9-5-2-6-10-20)13-14-27-23(29)12-11-21(24-27)19-7-3-1-4-8-19/h1-12H,13-18H2
InChIKeyVLPIWQCCKWVKIB-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.65
Rot. Bonds5

About 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one

2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one (PubChem CID 3432247) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
PubChem CID3432247
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one
SMILESO=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H24N4O2/c28-22(26-17-15-25(16-18-26)20-9-5-2-6-10-20)13-14-27-23(29)12-11-21(24-27)19-7-3-1-4-8-19/h1-12H,13-18H2
InChIKeyVLPIWQCCKWVKIB-UHFFFAOYSA-N
XLogP2.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The IUPAC name of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one (CID 3432247) is 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one.
What is the SMILES notation for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The canonical SMILES for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one is O=C(CCn1nc(-c2ccccc2)ccc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
The InChIKey is VLPIWQCCKWVKIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(26-17-15-25(16-18-26)20-9-5-2-6-10-20)13-14-27-23(29)12-11-21(24-27)19-7-3-1-4-8-19/h1-12H,13-18H2.
What are the key properties of 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one?
2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one has a molecular weight of 388.47 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-6-phenylpyridazin-3-one is sourced from PubChem (CID 3432247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).