(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone

C17H19N3O — CID 113200594

IUPAC(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H19N3O/c1-13-6-5-11-20(12-13)17(21)16-10-9-15(18-19-16)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyVMXRRBLZLYEYSF-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.02
Rot. Bonds2

About (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone

(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone (PubChem CID 113200594) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone.

Molecular Properties

Compound Name(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
PubChem CID113200594
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone
SMILESCC1CCCN(C(=O)c2ccc(-c3ccccc3)nn2)C1
InChIInChI=1S/C17H19N3O/c1-13-6-5-11-20(12-13)17(21)16-10-9-15(18-19-16)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3
InChIKeyVMXRRBLZLYEYSF-UHFFFAOYSA-N
XLogP3.02
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-methylpiperidin-1-yl)-(6-phenylpyridazin-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

azepan-1-yl-(6-phenylpyridazin-3-yl)methanone
CID 113200597
(3-methylpiperidin-1-yl)-(6-phenyl-3-pyridinyl)methanone
CID 110683661
[(3R)-3-methylpiperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 27258020
(3-methylpiperidin-1-yl)-(2-phenylphenyl)methanone
CID 145074251
[6-[benzyl(propan-2-yl)amino]pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109125080
(3-methylpiperidin-1-yl)-[6-(2-methylpropylamino)pyridazin-3-yl]methanone
CID 109111042
[6-(ethylamino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 62172058
[6-(2-fluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126061
[6-(2-bromoanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126106
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169

Frequently Asked Questions

What is the IUPAC name of (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone?
The IUPAC name of (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone (CID 113200594) is (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone.
What is the SMILES notation for (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone?
The canonical SMILES for (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone is CC1CCCN(C(=O)c2ccc(-c3ccccc3)nn2)C1.
What is the InChIKey of (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone?
The InChIKey is VMXRRBLZLYEYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-13-6-5-11-20(12-13)17(21)16-10-9-15(18-19-16)14-7-3-2-4-8-14/h2-4,7-10,13H,5-6,11-12H2,1H3.
What are the key properties of (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone?
(3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylpiperidin-1-yl)-(6-phenylpyridazin-3-yl)methanone is sourced from PubChem (CID 113200594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).