[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone

C15H22N4O3 — CID 91627814

IUPAC[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OC2CCCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C15H22N4O3/c1-12-4-5-14(17-16-12)22-13-3-2-6-19(11-13)15(20)18-7-9-21-10-8-18/h4-5,13H,2-3,6-11H2,1H3
InChIKeySESMALVNAJIRSR-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.08
Rot. Bonds2

About [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone

[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 91627814) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID91627814
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone
SMILESCc1ccc(OC2CCCN(C(=O)N3CCOCC3)C2)nn1
InChIInChI=1S/C15H22N4O3/c1-12-4-5-14(17-16-12)22-13-3-2-6-19(11-13)15(20)18-7-9-21-10-8-18/h4-5,13H,2-3,6-11H2,1H3
InChIKeySESMALVNAJIRSR-UHFFFAOYSA-N
XLogP1.08
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone (CID 91627814) is [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone is Cc1ccc(OC2CCCN(C(=O)N3CCOCC3)C2)nn1.
What is the InChIKey of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is SESMALVNAJIRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-12-4-5-14(17-16-12)22-13-3-2-6-19(11-13)15(20)18-7-9-21-10-8-18/h4-5,13H,2-3,6-11H2,1H3.
What are the key properties of [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone?
[3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 306.37 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylpyridazin-3-yl)oxypiperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 91627814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).