(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C18H21N3O2 — CID 90559517

IUPAC(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3C)CC2)nn1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(22)21-11-9-15(10-12-21)23-17-8-7-14(2)19-20-17/h3-8,15H,9-12H2,1-2H3
InChIKeyARZWRQQZQZFNPI-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.78
Rot. Bonds3

About (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 90559517) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID90559517
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3C)CC2)nn1
InChIInChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(22)21-11-9-15(10-12-21)23-17-8-7-14(2)19-20-17/h3-8,15H,9-12H2,1-2H3
InChIKeyARZWRQQZQZFNPI-UHFFFAOYSA-N
XLogP2.78
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-(2-methylphenyl)methanone
CID 30773694
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
(2-methyl-3-nitrophenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638679
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
(2-chlorophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639091
(3,5-dimethylphenyl)-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90638646
(2-iodophenyl)-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 90639097
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
1H-indol-2-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100625464

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 90559517) is (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)c3ccccc3C)CC2)nn1.
What is the InChIKey of (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is ARZWRQQZQZFNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-5-3-4-6-16(13)18(22)21-11-9-15(10-12-21)23-17-8-7-14(2)19-20-17/h3-8,15H,9-12H2,1-2H3.
What are the key properties of (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 311.39 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 90559517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).