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

C22H28N4O — CID 53025387

IUPAC(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C22H28N4O/c1-17-11-14-25(15-12-17)22(27)19-8-5-13-26(16-19)21-10-9-20(23-24-21)18-6-3-2-4-7-18/h2-4,6-7,9-10,17,19H,5,8,11-16H2,1H3
InChIKeyXOMYAFWJTPMSLF-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.62
Rot. Bonds3

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

(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone (PubChem CID 53025387) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
PubChem CID53025387
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
SMILESCC1CCN(C(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1
InChIInChI=1S/C22H28N4O/c1-17-11-14-25(15-12-17)22(27)19-8-5-13-26(16-19)21-10-9-20(23-24-21)18-6-3-2-4-7-18/h2-4,6-7,9-10,17,19H,5,8,11-16H2,1H3
InChIKeyXOMYAFWJTPMSLF-UHFFFAOYSA-N
XLogP3.62
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-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

[(3R)-1-[6-(4-methylphenyl)pyridazin-3-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 93055749
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[(3S)-1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone
CID 51691251
[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 163351464
1-(6-phenylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 116972743
(3S)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 98746052
(4-methylpiperidin-1-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]methanone
CID 53035074
1-[6-(4-methylphenyl)pyridazin-3-yl]-N-phenylpiperidine-3-carboxamide
CID 53025060
(4-benzylpiperidin-1-yl)-[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121118392
(3S)-1-(6-phenylpyridazin-3-yl)-N-(4-propan-2-ylphenyl)piperidine-3-carboxamide
CID 30351004
[(3R)-1-[6-(3,4-dimethylphenyl)pyridazin-3-yl]piperidin-3-yl]-thiomorpholin-4-ylmethanone
CID 95795097
(3S)-N-(3-acetamidophenyl)-1-(6-phenylpyridazin-3-yl)piperidine-3-carboxamide
CID 30866093
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(6-pyridin-3-ylpyridazin-3-yl)piperidin-3-yl]methanone
CID 121070942

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone (CID 53025387) is (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone is CC1CCN(C(=O)C2CCCN(c3ccc(-c4ccccc4)nn3)C2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone?
The InChIKey is XOMYAFWJTPMSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-11-14-25(15-12-17)22(27)19-8-5-13-26(16-19)21-10-9-20(23-24-21)18-6-3-2-4-7-18/h2-4,6-7,9-10,17,19H,5,8,11-16H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone has a molecular weight of 364.49 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(6-phenylpyridazin-3-yl)piperidin-3-yl]methanone is sourced from PubChem (CID 53025387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).