2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one

C17H27N3O — CID 167448188

IUPAC2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
SMILESCC(C)CC1CCN(c2ccc(C(=O)C(C)C)nn2)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)11-14-7-9-20(10-8-14)16-6-5-15(18-19-16)17(21)13(3)4/h5-6,12-14H,7-11H2,1-4H3
InChIKeyPEDVBGVGICOUCU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.58
Rot. Bonds5

About 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one

2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one (PubChem CID 167448188) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
PubChem CID167448188
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
SMILESCC(C)CC1CCN(c2ccc(C(=O)C(C)C)nn2)CC1
InChIInChI=1S/C17H27N3O/c1-12(2)11-14-7-9-20(10-8-14)16-6-5-15(18-19-16)17(21)13(3)4/h5-6,12-14H,7-11H2,1-4H3
InChIKeyPEDVBGVGICOUCU-UHFFFAOYSA-N
XLogP3.58
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-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

1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
CID 178008605
6-[4-(2-methylpropyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045215
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172654
methyl 1-(6-carbamoylpyridazin-3-yl)piperidine-4-carboxylate
CID 79099458
2-methyl-N-[[1-(6-propan-2-ylpyridazin-3-yl)piperidin-4-yl]methyl]propanamide;molecular hydrogen
CID 166112098
N-(4-methylphenyl)-6-(4-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109113214

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one (CID 167448188) is 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one is CC(C)CC1CCN(c2ccc(C(=O)C(C)C)nn2)CC1.
What is the InChIKey of 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one?
The InChIKey is PEDVBGVGICOUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)11-14-7-9-20(10-8-14)16-6-5-15(18-19-16)17(21)13(3)4/h5-6,12-14H,7-11H2,1-4H3.
What are the key properties of 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one?
2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one is sourced from PubChem (CID 167448188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).