2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

C17H26F2N4O — CID 175648477

IUPAC2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESCC(C)(C)c1ccc(N2CCC(CC(=O)NCC(F)F)CC2)nn1
InChIInChI=1S/C17H26F2N4O/c1-17(2,3)13-4-5-15(22-21-13)23-8-6-12(7-9-23)10-16(24)20-11-14(18)19/h4-5,12,14H,6-11H2,1-3H3,(H,20,24)
InChIKeyXNLNFQYMHXRYGH-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.76
Rot. Bonds5

About 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide

2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (PubChem CID 175648477) has the molecular formula C17H26F2N4O and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.

Molecular Properties

Compound Name2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
PubChem CID175648477
Molecular FormulaC17H26F2N4O
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Name2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
SMILESCC(C)(C)c1ccc(N2CCC(CC(=O)NCC(F)F)CC2)nn1
InChIInChI=1S/C17H26F2N4O/c1-17(2,3)13-4-5-15(22-21-13)23-8-6-12(7-9-23)10-16(24)20-11-14(18)19/h4-5,12,14H,6-11H2,1-3H3,(H,20,24)
InChIKeyXNLNFQYMHXRYGH-UHFFFAOYSA-N
XLogP2.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,2-difluoroethyl)-2-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]acetamide
CID 175648415
1-(6-tert-butylpyridazin-3-yl)piperidin-4-amine
CID 116972368
2-[1-(4-cyanophenyl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide
CID 175649231
N-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methanesulfonamide
CID 165434698
N-(2,2-difluoroethyl)-2-[1-(6-ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648431
N-(2,2-difluoroethyl)-2-[1-(7-methylpyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648849
1-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603329
N-[[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]methyl]-N-methylmethanesulfonamide
CID 171691567
N-(2,2-difluoroethyl)-2-[1-(4,5-dimethyl-1,3-benzothiazol-2-yl)piperidin-4-yl]acetamide
CID 175650359
N-(2,2-difluoroethyl)-2-[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]acetamide
CID 175649058
N-ethyl-1-[6-(trifluoromethyl)pyridazin-3-yl]piperidine-4-carboxamide
CID 133418255
2-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-yl]-N-methylacetamide
CID 133492226

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The IUPAC name of 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide (CID 175648477) is 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide.
What is the SMILES notation for 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The canonical SMILES for 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is CC(C)(C)c1ccc(N2CCC(CC(=O)NCC(F)F)CC2)nn1.
What is the InChIKey of 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
The InChIKey is XNLNFQYMHXRYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F2N4O/c1-17(2,3)13-4-5-15(22-21-13)23-8-6-12(7-9-23)10-16(24)20-11-14(18)19/h4-5,12,14H,6-11H2,1-3H3,(H,20,24).
What are the key properties of 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide?
2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide has a molecular weight of 340.42 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-tert-butylpyridazin-3-yl)piperidin-4-yl]-N-(2,2-difluoroethyl)acetamide is sourced from PubChem (CID 175648477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).