2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one

C26H25N3O2 — CID 143463066

IUPAC2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one
SMILESCc1ccc(N2CCC(O)CC2)cc1-n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H25N3O2/c1-18-11-12-20(28-15-13-21(30)14-16-28)17-24(18)29-26(31)23-10-6-5-9-22(23)25(27-29)19-7-3-2-4-8-19/h2-12,17,21,30H,13-16H2,1H3
InChIKeyQIEULRJLCYFREH-UHFFFAOYSA-N
MW411.51 g/mol
LogP4.32
Rot. Bonds3

About 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one

2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one (PubChem CID 143463066) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one.

Molecular Properties

Compound Name2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one
PubChem CID143463066
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Name2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one
SMILESCc1ccc(N2CCC(O)CC2)cc1-n1nc(-c2ccccc2)c2ccccc2c1=O
InChIInChI=1S/C26H25N3O2/c1-18-11-12-20(28-15-13-21(30)14-16-28)17-24(18)29-26(31)23-10-6-5-9-22(23)25(27-29)19-7-3-2-4-8-19/h2-12,17,21,30H,13-16H2,1H3
InChIKeyQIEULRJLCYFREH-UHFFFAOYSA-N
XLogP4.32
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-nitro-3-(1-oxo-4-phenylphthalazin-2-yl)phenyl]piperidine-4-carboxylic acid
CID 69161505
ethane;4-(3-ethenyl-5-phenylphenyl)-2-(2-methyl-5-morpholin-4-ylphenyl)phthalazin-1-one;formaldehyde
CID 143462929
2-(2-methyl-5-morpholin-4-ylphenyl)-4-(5-methyl-1H-pyrrol-2-yl)phthalazin-1-one
CID 143463094
formaldehyde;methoxymethane;2-(2-methyl-5-morpholin-4-ylphenyl)-4-(3-propan-2-ylphenyl)phthalazin-1-one
CID 143462870
2-[5-(azepan-1-yl)-2-nitrophenyl]-4-phenylphthalazin-1-one
CID 4239392
2-(5-morpholin-4-yl-2-nitrophenyl)-4-phenylphthalazin-1-one
CID 2901797
4-(3,4-dimethylphenyl)-2-[5-[4-(2-hydroxyethyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
CID 2888161
2-[5-(4-ethylpiperazin-1-yl)-2-nitrophenyl]-4-(4-methylphenyl)phthalazin-1-one
CID 3986138
2-[5-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-nitrophenyl]-4-phenylphthalazin-1-one
CID 3400985
4-(4-chlorophenyl)-2-[5-[4-(2-methylbenzoyl)piperazin-1-yl]-2-nitrophenyl]phthalazin-1-one
CID 3971077
N,N-dimethyl-3-[3-(5-morpholin-4-yl-2-nitrophenyl)-4-oxophthalazin-1-yl]benzamide
CID 69162047
2-(4-chlorophenyl)-4-phenylphthalazin-1-one
CID 110172596

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one?
The IUPAC name of 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one (CID 143463066) is 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one.
What is the SMILES notation for 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one?
The canonical SMILES for 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one is Cc1ccc(N2CCC(O)CC2)cc1-n1nc(-c2ccccc2)c2ccccc2c1=O.
What is the InChIKey of 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one?
The InChIKey is QIEULRJLCYFREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-18-11-12-20(28-15-13-21(30)14-16-28)17-24(18)29-26(31)23-10-6-5-9-22(23)25(27-29)19-7-3-2-4-8-19/h2-12,17,21,30H,13-16H2,1H3.
What are the key properties of 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one?
2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one has a molecular weight of 411.51 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-hydroxypiperidin-1-yl)-2-methylphenyl]-4-phenylphthalazin-1-one is sourced from PubChem (CID 143463066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).