[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone

C17H19N3O2 — CID 72717309

IUPAC[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-16(19-18-13)22-15-9-11-20(12-10-15)17(21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyXKCUDIXEYHGWLM-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.47
Rot. Bonds3

About [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone (PubChem CID 72717309) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
PubChem CID72717309
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C17H19N3O2/c1-13-7-8-16(19-18-13)22-15-9-11-20(12-10-15)17(21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3
InChIKeyXKCUDIXEYHGWLM-UHFFFAOYSA-N
XLogP2.47
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
(3-fluorophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638662
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
4-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]benzonitrile
CID 100627350
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 90638686
(3,5-dimethoxyphenyl)-[(3R)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626116
[4-(diethylamino)phenyl]-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638827
[4-(4-methylphenoxy)piperidin-1-yl]-phenylmethanone
CID 110397046
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone (CID 72717309) is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone is Cc1ccc(OC2CCN(C(=O)c3ccccc3)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone?
The InChIKey is XKCUDIXEYHGWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-13-7-8-16(19-18-13)22-15-9-11-20(12-10-15)17(21)14-5-3-2-4-6-14/h2-8,15H,9-12H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone?
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone has a molecular weight of 297.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 72717309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).