(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one

C20H25N3O2 — CID 97427079

IUPAC(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(Oc2ccc(C)nn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)20(24)23-13-11-17(12-14-23)25-19-10-9-15(2)21-22-19/h4-10,17-18H,3,11-14H2,1-2H3/t18-/m1/s1
InChIKeyZYQUODCRBVVRJD-GOSISDBHSA-N
MW339.44 g/mol
LogP3.35
Rot. Bonds5

About (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one

(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one (PubChem CID 97427079) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one.

Molecular Properties

Compound Name(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
PubChem CID97427079
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one
SMILESCC[C@@H](C(=O)N1CCC(Oc2ccc(C)nn2)CC1)c1ccccc1
InChIInChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)20(24)23-13-11-17(12-14-23)25-19-10-9-15(2)21-22-19/h4-10,17-18H,3,11-14H2,1-2H3/t18-/m1/s1
InChIKeyZYQUODCRBVVRJD-GOSISDBHSA-N
XLogP3.35
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(6-methyl-3-pyridinyl)oxy]piperidin-1-yl]-2-phenylbutan-1-one
CID 90566394
2-phenyl-1-(4-pyrazin-2-yloxypiperidin-1-yl)butan-1-one
CID 71799224
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-phenylmethanone
CID 72717309
2-phenyl-1-(4-pyridin-4-yloxypiperidin-1-yl)butan-1-one
CID 91815923
1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-(4-phenylphenyl)ethanone
CID 90559617
(2-methylphenyl)-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
CID 90559517
(2S)-1-[(3S)-3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]-2-phenoxypropan-1-one
CID 100626242
3-methyl-6-piperidin-4-yloxypyridazine;2-methylpropane;4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxylic acid
CID 162515355
[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90559487
1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]-2,2-diphenylethanone
CID 90639146
2-ethoxy-1-[3-(6-methylpyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627331
1-(4-cyclopropylidenepiperidin-1-yl)-2-phenylbutan-1-one
CID 121186844

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one?
The IUPAC name of (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one (CID 97427079) is (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one.
What is the SMILES notation for (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one?
The canonical SMILES for (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one is CC[C@@H](C(=O)N1CCC(Oc2ccc(C)nn2)CC1)c1ccccc1.
What is the InChIKey of (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one?
The InChIKey is ZYQUODCRBVVRJD-GOSISDBHSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)20(24)23-13-11-17(12-14-23)25-19-10-9-15(2)21-22-19/h4-10,17-18H,3,11-14H2,1-2H3/t18-/m1/s1.
What are the key properties of (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one?
(2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one has a molecular weight of 339.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylbutan-1-one is sourced from PubChem (CID 97427079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).