(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone

C21H27N5O3S — CID 121072082

IUPAC(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1
InChIInChI=1S/C21H27N5O3S/c1-30(28,29)26-15-13-25(14-16-26)21(27)18-9-11-24(12-10-18)20-8-7-19(22-23-20)17-5-3-2-4-6-17/h2-8,18H,9-16H2,1H3
InChIKeyUYSUSBMMFBGDMC-UHFFFAOYSA-N
MW429.55 g/mol
LogP1.46
Rot. Bonds4

About (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone

(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone (PubChem CID 121072082) has the molecular formula C21H27N5O3S and a molecular weight of 429.55 g/mol. Its IUPAC name is (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
PubChem CID121072082
Molecular FormulaC21H27N5O3S
Molecular Weight429.55 g/mol
Exact Mass429.18
IUPAC Name(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
SMILESCS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1
InChIInChI=1S/C21H27N5O3S/c1-30(28,29)26-15-13-25(14-16-26)21(27)18-9-11-24(12-10-18)20-8-7-19(22-23-20)17-5-3-2-4-6-17/h2-8,18H,9-16H2,1H3
InChIKeyUYSUSBMMFBGDMC-UHFFFAOYSA-N
XLogP1.46
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone 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

[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 121071926
(1-methylsulfonylpiperidin-4-yl)-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 121058275
(4-benzylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866604
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30866607
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
[4-(2-phenylethyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-4-yl]methanone
CID 30365263
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]methanone
CID 30361151
[1-[6-(4-methoxyphenyl)pyridazin-3-yl]piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 30361199
[4-(benzenesulfonyl)piperazin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 26020158
(1-methylsulfonylpiperidin-4-yl)-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]methanone
CID 91624928
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 53025387
1-(6-phenylpyridazin-3-yl)piperidin-4-ol
CID 3022103

Frequently Asked Questions

What is the IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The IUPAC name of (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone (CID 121072082) is (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The canonical SMILES for (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone is CS(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc(-c4ccccc4)nn3)CC2)CC1.
What is the InChIKey of (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
The InChIKey is UYSUSBMMFBGDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3S/c1-30(28,29)26-15-13-25(14-16-26)21(27)18-9-11-24(12-10-18)20-8-7-19(22-23-20)17-5-3-2-4-6-17/h2-8,18H,9-16H2,1H3.
What are the key properties of (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone?
(4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone has a molecular weight of 429.55 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylsulfonylpiperazin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-4-yl]methanone is sourced from PubChem (CID 121072082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).