1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone

C19H23N3O3 — CID 100643153

IUPAC1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCc1ccc(O[C@H]2CCCN(C(=O)COCc3ccccc3)C2)nn1
InChIInChI=1S/C19H23N3O3/c1-15-9-10-18(21-20-15)25-17-8-5-11-22(12-17)19(23)14-24-13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m0/s1
InChIKeyJDZOKSSUNQLUOP-KRWDZBQOSA-N
MW341.41 g/mol
LogP2.37
Rot. Bonds6

About 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone

1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (PubChem CID 100643153) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
PubChem CID100643153
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone
SMILESCc1ccc(O[C@H]2CCCN(C(=O)COCc3ccccc3)C2)nn1
InChIInChI=1S/C19H23N3O3/c1-15-9-10-18(21-20-15)25-17-8-5-11-22(12-17)19(23)14-24-13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m0/s1
InChIKeyJDZOKSSUNQLUOP-KRWDZBQOSA-N
XLogP2.37
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone with MolForge

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Related Compounds

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CID 122184700
N-[1-[[4-[3-(6-phenoxypyridazin-3-yl)propoxy]phenyl]methyl]piperidin-4-yl]acetamide
CID 122184706
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2-phenoxyacetamide
CID 7422517
N-(4-(4-(6-isopropoxypyridazin-3-yloxy)phenyl)butan-2-yl)acetamide
CID 49858288
N-[1-[4-[2-(6-propan-2-yloxypyridazin-3-yl)ethynyl]phenyl]propan-2-yl]acetamide
CID 68058548
2-(5,6-dimethylpyridazin-3-yl)oxy-N-[(4-fluorophenyl)methyl]acetamide
CID 56782715
2-(2-Fluorophenoxy)-1-(3-(pyridazin-3-yloxy)piperidin-1-yl)ethanone
CID 91627666
Cyclohex-3-en-1-yl(3-((6-methylpyridazin-3-yl)oxy)piperidin-1-yl)methanone
CID 91627779
2-(p-fluorophenoxy)-1-[(S)-3-(6-methyl-3-pyridazinyloxy)-1-pyrrolidinyl]-1-ethanone
CID 100626334
2-(2,4-difluorophenyl)-1-[(S)-3-(6-methyl-3-pyridazinyloxy)-1-pyrrolidinyl]-1-ethanone
CID 100628544
3-Phenyl-6-{[1-(pyrrolidin-1-ylmethyl)pent-4-en-1-yl]oxy}pyridazine
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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone (CID 100643153) is 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is Cc1ccc(O[C@H]2CCCN(C(=O)COCc3ccccc3)C2)nn1.
What is the InChIKey of 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is JDZOKSSUNQLUOP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-15-9-10-18(21-20-15)25-17-8-5-11-22(12-17)19(23)14-24-13-16-6-3-2-4-7-16/h2-4,6-7,9-10,17H,5,8,11-14H2,1H3/t17-/m0/s1.
What are the key properties of 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone?
1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 341.41 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 100643153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).