2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one

C16H18ClN3O — CID 25098843

IUPAC2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(Cl)nn1Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-16-14(19-9-5-2-6-10-19)11-15(21)20(18-16)12-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChIKeyZGGAPNFCFUNKME-UHFFFAOYSA-N
MW303.79 g/mol
LogP2.94
Rot. Bonds3

About 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one

2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one (PubChem CID 25098843) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one
PubChem CID25098843
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one
SMILESO=c1cc(N2CCCCC2)c(Cl)nn1Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-16-14(19-9-5-2-6-10-19)11-15(21)20(18-16)12-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2
InChIKeyZGGAPNFCFUNKME-UHFFFAOYSA-N
XLogP2.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-(2-fluorophenyl)-5-piperidin-1-ylpyridazin-3-one
CID 25098844
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
5-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-benzylpyridazin-3-one
CID 53202307
2-benzyl-5-[(3R)-3-[4-(2-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]pyridazin-3-one
CID 95116029
1-[3-[[3-chloro-4-(1,4-diazepan-1-yl)-6-oxopyridazin-1-yl]methyl]-4-methoxyphenyl]-3-(4-phenylphenyl)urea
CID 44536592
2-benzyl-5-[3-hydroxy-3-(hydroxymethyl)piperidin-1-yl]pyridazin-3-one
CID 167794712
1-(1-benzyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxylic acid
CID 122048542
2-benzyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3-one
CID 63253672
1-(1-benzyl-6-oxopyridazin-4-yl)-N-cyclohexylpiperidine-4-carboxamide
CID 53202291
1-[3-[(3-chloro-6-oxo-4-piperazin-1-ylpyridazin-1-yl)methyl]-2-methylphenyl]-3-(4-phenylphenyl)urea
CID 44536558
2-[(3,4-dichlorophenyl)methyl]-6-(4-piperidin-1-ylphenyl)pyridazin-3-one
CID 41376665

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one (CID 25098843) is 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one is O=c1cc(N2CCCCC2)c(Cl)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is ZGGAPNFCFUNKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-16-14(19-9-5-2-6-10-19)11-15(21)20(18-16)12-13-7-3-1-4-8-13/h1,3-4,7-8,11H,2,5-6,9-10,12H2.
What are the key properties of 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one?
2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 303.79 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-chloro-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 25098843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).