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

C17H27N3O — CID 178008605

IUPAC1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
SMILESCCCC(=O)c1ccc(N2CCC(CC(C)C)CC2)nn1
InChIInChI=1S/C17H27N3O/c1-4-5-16(21)15-6-7-17(19-18-15)20-10-8-14(9-11-20)12-13(2)3/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeySBGMXZDAERGQKM-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.72
Rot. Bonds6

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

1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one (PubChem CID 178008605) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one.

Molecular Properties

Compound Name1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
PubChem CID178008605
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one
SMILESCCCC(=O)c1ccc(N2CCC(CC(C)C)CC2)nn1
InChIInChI=1S/C17H27N3O/c1-4-5-16(21)15-6-7-17(19-18-15)20-10-8-14(9-11-20)12-13(2)3/h6-7,13-14H,4-5,8-12H2,1-3H3
InChIKeySBGMXZDAERGQKM-UHFFFAOYSA-N
XLogP3.72
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]propan-1-one
CID 167448188
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-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridazine-3-carboxamide
CID 109109604
6-[4-[(4-propan-2-ylphenyl)methyl]piperidin-1-yl]pyridazine-3-carboxamide
CID 133473201
4-cyclopropyl-1-[6-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]pyridazin-3-yl]butan-1-one
CID 158594279
3-methyl-1-[6-[4-[3-oxo-3-(5-propan-2-yl-2-pyridinyl)propyl]piperidin-1-yl]pyridazin-3-yl]butan-2-one
CID 167644990
6-[4-[[2-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]pyridazine-3-carboxylic acid
CID 67172654
[4-(ethylaminomethyl)piperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 119647808
6-[4-(2-methylpropanoyl)piperidin-1-yl]-N-propan-2-ylpyridazine-3-carboxamide
CID 166045089
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one?
The IUPAC name of 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one (CID 178008605) is 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one.
What is the SMILES notation for 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one?
The canonical SMILES for 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one is CCCC(=O)c1ccc(N2CCC(CC(C)C)CC2)nn1.
What is the InChIKey of 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one?
The InChIKey is SBGMXZDAERGQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-5-16(21)15-6-7-17(19-18-15)20-10-8-14(9-11-20)12-13(2)3/h6-7,13-14H,4-5,8-12H2,1-3H3.
What are the key properties of 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one?
1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one has a molecular weight of 289.42 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-(2-methylpropyl)piperidin-1-yl]pyridazin-3-yl]butan-1-one is sourced from PubChem (CID 178008605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).