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

C14H19N3O2 — CID 72717304

IUPACcyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C14H19N3O2/c1-10-2-5-13(16-15-10)19-12-6-8-17(9-7-12)14(18)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyDZMCDKNQMJTOIH-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.56
Rot. Bonds3

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

cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (PubChem CID 72717304) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
PubChem CID72717304
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Namecyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone
SMILESCc1ccc(OC2CCN(C(=O)C3CC3)CC2)nn1
InChIInChI=1S/C14H19N3O2/c1-10-2-5-13(16-15-10)19-12-6-8-17(9-7-12)14(18)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3
InChIKeyDZMCDKNQMJTOIH-UHFFFAOYSA-N
XLogP1.56
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone (CID 72717304) is cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is Cc1ccc(OC2CCN(C(=O)C3CC3)CC2)nn1.
What is the InChIKey of cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
The InChIKey is DZMCDKNQMJTOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10-2-5-13(16-15-10)19-12-6-8-17(9-7-12)14(18)11-3-4-11/h2,5,11-12H,3-4,6-9H2,1H3.
What are the key properties of cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone?
cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone has a molecular weight of 261.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]methanone is sourced from PubChem (CID 72717304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).