[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone

C17H19N3O2 — CID 134801526

IUPAC[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)nn1
InChIInChI=1S/C17H19N3O2/c1-22-16-10-9-15(18-19-16)13-5-7-14(8-6-13)17(21)20-11-3-2-4-12-20/h5-10H,2-4,11-12H2,1H3
InChIKeyAXCVNMMVQNNGRC-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.78
Rot. Bonds3

About [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone

[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone (PubChem CID 134801526) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone
PubChem CID134801526
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)nn1
InChIInChI=1S/C17H19N3O2/c1-22-16-10-9-15(18-19-16)13-5-7-14(8-6-13)17(21)20-11-3-2-4-12-20/h5-10H,2-4,11-12H2,1H3
InChIKeyAXCVNMMVQNNGRC-UHFFFAOYSA-N
XLogP2.78
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 ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

(1R,9S)-11-[4-(4-methoxyphthalazin-1-yl)benzoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 664725
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridazin-4-ylbenzamide
CID 155557555
N,N-diethyl-4-(4-methoxyphthalazin-1-yl)benzamide
CID 6401687
N-[1-(4,4-dimethylcyclohexyl)pyrrolidin-3-yl]-3-[[4-(6-methoxypyridazin-3-yl)benzoyl]-methylamino]-N-methylpyrrolidine-1-carboxamide
CID 44389521
N-[1-[3-(6-methoxypyridazin-3-yl)benzoyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134800971
N-[(2-fluorophenyl)methyl]-4-(6-methoxypyridazin-3-yl)benzamide
CID 134801622
N-[(4-fluorophenyl)methyl]-3-(6-methoxypyridazin-3-yl)benzamide
CID 134802190
3-(6-methoxypyridazin-3-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 134803949
4-fluoro-N-[4-(6-methoxypyridazin-3-yl)phenyl]benzamide
CID 7593565
(3-methoxy-4-methylphenyl)-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methanone
CID 71926871
(1-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-(6-methoxypyridazin-3-yl)methanone
CID 72007295
3-(6-methylpyridazin-3-yl)oxy-N-[(1S)-1-phenylethyl]benzamide
CID 95877842

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone (CID 134801526) is [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone is COc1ccc(-c2ccc(C(=O)N3CCCCC3)cc2)nn1.
What is the InChIKey of [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone?
The InChIKey is AXCVNMMVQNNGRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-22-16-10-9-15(18-19-16)13-5-7-14(8-6-13)17(21)20-11-3-2-4-12-20/h5-10H,2-4,11-12H2,1H3.
What are the key properties of [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone?
[4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone has a molecular weight of 297.36 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 [4-(6-methoxypyridazin-3-yl)phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 134801526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).