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

C23H23N3O3 — CID 90559487

IUPAC[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)nn1
InChIInChI=1S/C23H23N3O3/c1-17-11-12-22(25-24-17)29-19-13-15-26(16-14-19)23(27)20-9-5-6-10-21(20)28-18-7-3-2-4-8-18/h2-12,19H,13-16H2,1H3
InChIKeyUADJCXCADJAGOU-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.26
Rot. Bonds5

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

[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone (PubChem CID 90559487) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
PubChem CID90559487
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
SMILESCc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)nn1
InChIInChI=1S/C23H23N3O3/c1-17-11-12-22(25-24-17)29-19-13-15-26(16-14-19)23(27)20-9-5-6-10-21(20)28-18-7-3-2-4-8-18/h2-12,19H,13-16H2,1H3
InChIKeyUADJCXCADJAGOU-UHFFFAOYSA-N
XLogP4.26
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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]-phenylmethanone
CID 72717309
[3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90639490
(2-phenoxyphenyl)-(4-phthalazin-1-yloxypiperidin-1-yl)methanone
CID 121127202
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
CID 97427079
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
1H-indol-3-yl-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]methanone
CID 100626807
N-(3-methoxyphenyl)-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559675
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 47061076
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357

Frequently Asked Questions

What is the IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The IUPAC name of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone (CID 90559487) is [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone.
What is the SMILES notation for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The canonical SMILES for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone is Cc1ccc(OC2CCN(C(=O)c3ccccc3Oc3ccccc3)CC2)nn1.
What is the InChIKey of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
The InChIKey is UADJCXCADJAGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-17-11-12-22(25-24-17)29-19-13-15-26(16-14-19)23(27)20-9-5-6-10-21(20)28-18-7-3-2-4-8-18/h2-12,19H,13-16H2,1H3.
What are the key properties of [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone?
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone has a molecular weight of 389.46 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone is sourced from PubChem (CID 90559487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).