[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone

C21H27N5O — CID 109112677

IUPAC[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3ccc(C(=O)N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C21H27N5O/c1-17-6-5-7-18(16-17)24-12-14-25(15-13-24)20-9-8-19(22-23-20)21(27)26-10-3-2-4-11-26/h5-9,16H,2-4,10-15H2,1H3
InChIKeyKZXLKOXPNCPSEK-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.74
Rot. Bonds3

About [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone

[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone (PubChem CID 109112677) has the molecular formula C21H27N5O and a molecular weight of 365.48 g/mol. Its IUPAC name is [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
PubChem CID109112677
Molecular FormulaC21H27N5O
Molecular Weight365.48 g/mol
Exact Mass365.22
IUPAC Name[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
SMILESCc1cccc(N2CCN(c3ccc(C(=O)N4CCCCC4)nn3)CC2)c1
InChIInChI=1S/C21H27N5O/c1-17-6-5-7-18(16-17)24-12-14-25(15-13-24)20-9-8-19(22-23-20)21(27)26-10-3-2-4-11-26/h5-9,16H,2-4,10-15H2,1H3
InChIKeyKZXLKOXPNCPSEK-UHFFFAOYSA-N
XLogP2.74
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone 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

[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
azepan-1-yl-[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]methanone
CID 109124006
azepan-1-yl-[6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-yl]methanone
CID 109352915
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
1-[4-[6-(pyrrolidine-1-carbonyl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 109111901
[6-[4-(4-fluorophenyl)piperazin-1-yl]pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111932
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112634
[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027881
[6-[4-(3-chlorophenyl)piperazin-1-yl]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109124005
ethyl 4-[6-(azepane-1-carbonyl)pyridazin-3-yl]piperazine-1-carboxylate
CID 109123810

Frequently Asked Questions

What is the IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone (CID 109112677) is [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone is Cc1cccc(N2CCN(c3ccc(C(=O)N4CCCCC4)nn3)CC2)c1.
What is the InChIKey of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is KZXLKOXPNCPSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O/c1-17-6-5-7-18(16-17)24-12-14-25(15-13-24)20-9-8-19(22-23-20)21(27)26-10-3-2-4-11-26/h5-9,16H,2-4,10-15H2,1H3.
What are the key properties of [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone?
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 365.48 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 109112677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).