2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one

C16H26N4O2 — CID 86284677

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-18-6-3-2-4-14(18)5-7-20-16(21)12-15(13-17-20)19-8-10-22-11-9-19/h12-14H,2-11H2,1H3
InChIKeyAOKYTEUIVQTRNK-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.95
Rot. Bonds4

About 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 86284677) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID86284677
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCN1CCCCC1CCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-18-6-3-2-4-14(18)5-7-20-16(21)12-15(13-17-20)19-8-10-22-11-9-19/h12-14H,2-11H2,1H3
InChIKeyAOKYTEUIVQTRNK-UHFFFAOYSA-N
XLogP0.95
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one (CID 86284677) is 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one is CN1CCCCC1CCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is AOKYTEUIVQTRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-18-6-3-2-4-14(18)5-7-20-16(21)12-15(13-17-20)19-8-10-22-11-9-19/h12-14H,2-11H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 306.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 86284677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).