1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone

C24H25N3O2 — CID 90559617

IUPAC1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H25N3O2/c1-18-7-12-23(26-25-18)29-22-13-15-27(16-14-22)24(28)17-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,22H,13-17H2,1H3
InChIKeyWNLBPTKVICJJPV-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.06
Rot. Bonds5

About 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone

1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone (PubChem CID 90559617) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
PubChem CID90559617
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
SMILESCc1ccc(OC2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)nn1
InChIInChI=1S/C24H25N3O2/c1-18-7-12-23(26-25-18)29-22-13-15-27(16-14-22)24(28)17-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,22H,13-17H2,1H3
InChIKeyWNLBPTKVICJJPV-UHFFFAOYSA-N
XLogP4.06
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
2-(4-phenylphenyl)-1-(3-pyridazin-3-yloxypyrrolidin-1-yl)ethanone
CID 90638326
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]ethanone
CID 90559656
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
2-phenyl-1-(4-pyridin-2-yloxypiperidin-1-yl)ethanone
CID 71798620
N-methyl-N-[2-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-oxoethyl]methanesulfonamide
CID 90559659
3-methyl-6-[1-(4-phenylphenyl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 90638978
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
[2-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-5-phenylphenyl]methanol
CID 167577678
2-(4-chlorophenyl)-1-(4-pyridazin-3-yloxypiperidin-1-yl)ethanone
CID 90559291
2-(4-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 90639141

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The IUPAC name of 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone (CID 90559617) is 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone.
What is the SMILES notation for 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The canonical SMILES for 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone is Cc1ccc(OC2CCN(C(=O)Cc3ccc(-c4ccccc4)cc3)CC2)nn1.
What is the InChIKey of 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone?
The InChIKey is WNLBPTKVICJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-18-7-12-23(26-25-18)29-22-13-15-27(16-14-22)24(28)17-19-8-10-21(11-9-19)20-5-3-2-4-6-20/h2-12,22H,13-17H2,1H3.
What are the key properties of 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone?
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone has a molecular weight of 387.48 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone is sourced from PubChem (CID 90559617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).