2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide

C13H15F3N4O3 — CID 108932771

IUPAC2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(23)17-7-8-3-5-20(6-4-8)11(22)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,23)(H,19,21)
InChIKeyVUXPMERUYYCVOK-UHFFFAOYSA-N
MW332.28 g/mol
LogP0.30
Rot. Bonds3

About 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide (PubChem CID 108932771) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide
PubChem CID108932771
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(c1ccc(=O)[nH]n1)N1CCC(CNC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)12(23)17-7-8-3-5-20(6-4-8)11(22)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,23)(H,19,21)
InChIKeyVUXPMERUYYCVOK-UHFFFAOYSA-N
XLogP0.30
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
3-(4,4-difluoropiperidin-3-yl)-1H-pyridazin-6-one
CID 163237891
5-(1,1-difluoropropyl)-3-ethyl-4-methyl-1H-pyridazin-6-one;2-ethyl-1-piperazin-1-ylhex-4-en-1-one;molecular hydrogen
CID 171493621
N-(1-(1-(L-alanyl)piperidin-4-yl)ethyl)-6-hydroxypyridazine-3-carboxamide
CID 132228177
3-[(3R)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433902
3-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 35433907
1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 36945824
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 45795256
2-Propyl-6-[3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 45799636
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722659
2-propyl-6-[(3S)-3-(trifluoromethyl)piperidine-1-carbonyl]pyridazin-3-one
CID 93606941

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide (CID 108932771) is 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide is O=C(c1ccc(=O)[nH]n1)N1CCC(CNC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is VUXPMERUYYCVOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c14-13(15,16)12(23)17-7-8-3-5-20(6-4-8)11(22)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,23)(H,19,21).
What are the key properties of 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 332.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 108932771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).