4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one

C16H17Cl2N3O2 — CID 133390833

IUPAC4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(Oc3ccccc3Cl)CC2)c(Cl)c1=O
InChIInChI=1S/C16H17Cl2N3O2/c1-20-16(22)15(18)13(10-19-20)21-8-6-11(7-9-21)23-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3
InChIKeyAMOQKUABAAYOIF-UHFFFAOYSA-N
MW354.24 g/mol
LogP3.13
Rot. Bonds3

About 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one

4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one (PubChem CID 133390833) has the molecular formula C16H17Cl2N3O2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
PubChem CID133390833
Molecular FormulaC16H17Cl2N3O2
Molecular Weight354.24 g/mol
Exact Mass353.07
IUPAC Name4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
SMILESCn1ncc(N2CCC(Oc3ccccc3Cl)CC2)c(Cl)c1=O
InChIInChI=1S/C16H17Cl2N3O2/c1-20-16(22)15(18)13(10-19-20)21-8-6-11(7-9-21)23-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3
InChIKeyAMOQKUABAAYOIF-UHFFFAOYSA-N
XLogP3.13
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one (CID 133390833) is 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one is Cn1ncc(N2CCC(Oc3ccccc3Cl)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is AMOQKUABAAYOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2N3O2/c1-20-16(22)15(18)13(10-19-20)21-8-6-11(7-9-21)23-14-5-3-2-4-12(14)17/h2-5,10-11H,6-9H2,1H3.
What are the key properties of 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one?
4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 354.24 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 133390833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).