1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one

C22H24N4O — CID 2952822

IUPAC1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-2-8-20(27)25-13-15-26(16-14-25)22-19-12-7-6-11-18(19)21(23-24-22)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3
InChIKeyZMNRORDFSGFGRV-UHFFFAOYSA-N
MW360.46 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one

1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one (PubChem CID 2952822) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
PubChem CID2952822
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one
SMILESCCCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1
InChIInChI=1S/C22H24N4O/c1-2-8-20(27)25-13-15-26(16-14-25)22-19-12-7-6-11-18(19)21(23-24-22)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3
InChIKeyZMNRORDFSGFGRV-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 25255940
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CID 46891199
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CID 46891200
CID 46891200
CID 156526617
CID 156526617
CID 2953198
CID 2953198
CID 2952514
CID 2952514
CID 2952305
CID 2952305
CID 2952321
CID 2952321
CID 6407374
CID 6407374
CID 6408839
CID 6408839

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one (CID 2952822) is 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one is CCCC(=O)N1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1.
What is the InChIKey of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one?
The InChIKey is ZMNRORDFSGFGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-2-8-20(27)25-13-15-26(16-14-25)22-19-12-7-6-11-18(19)21(23-24-22)17-9-4-3-5-10-17/h3-7,9-12H,2,8,13-16H2,1H3.
What are the key properties of 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one?
1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one has a molecular weight of 360.46 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylphthalazin-1-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 2952822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).