[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

C17H23N3O2 — CID 100642537

IUPAC[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1
InChIInChI=1S/C17H23N3O2/c1-13-9-10-16(19-18-13)22-15-8-5-11-20(12-15)17(21)14-6-3-2-4-7-14/h2-3,9-10,14-15H,4-8,11-12H2,1H3/t14-,15+/m0/s1
InChIKeyZBSGKZKEUYFWBJ-LSDHHAIUSA-N
MW301.39 g/mol
LogP2.51
Rot. Bonds3

About [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone

[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 100642537) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID100642537
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1
InChIInChI=1S/C17H23N3O2/c1-13-9-10-16(19-18-13)22-15-8-5-11-20(12-15)17(21)14-6-3-2-4-7-14/h2-3,9-10,14-15H,4-8,11-12H2,1H3/t14-,15+/m0/s1
InChIKeyZBSGKZKEUYFWBJ-LSDHHAIUSA-N
XLogP2.51
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 100642537) is [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is Cc1ccc(O[C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)nn1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is ZBSGKZKEUYFWBJ-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-9-10-16(19-18-13)22-15-8-5-11-20(12-15)17(21)14-6-3-2-4-7-14/h2-3,9-10,14-15H,4-8,11-12H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
[(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 301.39 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-[(3R)-3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 100642537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).