4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one

C17H20ClN3O2 — CID 133308219

IUPAC4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(COc3ccccc3)C2)c(Cl)c1=O
InChIInChI=1S/C17H20ClN3O2/c1-20-17(22)16(18)15(10-19-20)21-9-5-6-13(11-21)12-23-14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3
InChIKeyGFQLRDUSLJCHGI-UHFFFAOYSA-N
MW333.82 g/mol
LogP2.73
Rot. Bonds4

About 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one

4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 133308219) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID133308219
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one
SMILESCn1ncc(N2CCCC(COc3ccccc3)C2)c(Cl)c1=O
InChIInChI=1S/C17H20ClN3O2/c1-20-17(22)16(18)15(10-19-20)21-9-5-6-13(11-21)12-23-14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3
InChIKeyGFQLRDUSLJCHGI-UHFFFAOYSA-N
XLogP2.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3S)-3-anilinopiperidin-1-yl]-4-chloro-2-methylpyridazin-3-one
CID 97226291
4-chloro-2-methyl-5-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-one
CID 33286693
4-chloro-5-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-2-methylpyridazin-3-one
CID 129352579
4-chloro-5-(4-methyl-1,4-diazepan-1-yl)-2-(2-phenoxyethyl)pyridazin-3-one
CID 154748550
N-[1-(5-chloro-1-methyl-6-oxopyridazin-4-yl)piperidin-3-yl]methanesulfonamide
CID 75419601
1,3-dimethyl-2,4-dioxo-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine-5-carbonitrile
CID 133308264
5-[3-(aminomethyl)piperidin-1-yl]-4-chloro-2-propylpyridazin-3-one
CID 114444360
4-chloro-5-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpyridazin-3-one
CID 47281084
4-chloro-2-methyl-5-(4-methylpiperazin-1-yl)pyridazin-3-one
CID 17088020
4-methyl-6-[3-(phenoxymethyl)piperidin-1-yl]pyrimidine
CID 133308306
5-[3-(aminomethyl)piperidin-1-yl]-2-butyl-4-chloropyridazin-3-one
CID 114444353
4-chloro-5-[4-(2-chlorophenoxy)piperidin-1-yl]-2-methylpyridazin-3-one
CID 133390833

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one (CID 133308219) is 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one is Cn1ncc(N2CCCC(COc3ccccc3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is GFQLRDUSLJCHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-20-17(22)16(18)15(10-19-20)21-9-5-6-13(11-21)12-23-14-7-3-2-4-8-14/h2-4,7-8,10,13H,5-6,9,11-12H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one?
4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 333.82 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[3-(phenoxymethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133308219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).