1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

C13H15F3N4O3 — CID 36945824

IUPAC1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)7-17-11(22)8-3-5-20(6-4-8)12(23)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,22)(H,19,21)
InChIKeyAKFLUMLTUNUKTH-UHFFFAOYSA-N
MW332.28 g/mol
LogP0.30
Rot. Bonds3

About 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide

1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (PubChem CID 36945824) has the molecular formula C13H15F3N4O3 and a molecular weight of 332.28 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
PubChem CID36945824
Molecular FormulaC13H15F3N4O3
Molecular Weight332.28 g/mol
Exact Mass332.11
IUPAC Name1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
SMILESO=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C13H15F3N4O3/c14-13(15,16)7-17-11(22)8-3-5-20(6-4-8)12(23)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,22)(H,19,21)
InChIKeyAKFLUMLTUNUKTH-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

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Related Compounds

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
3-[3-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 45795256
1-(1-methyl-6-oxo-1,6-dihydropyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49722659
3-[4-(trifluoromethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 103709395
2,2,2-trifluoro-N-[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]acetamide
CID 108548733
6-oxo-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-1H-pyridazine-3-carboxamide
CID 108554974
2,2,2-trifluoro-N-[[1-(6-oxo-1H-pyridazine-3-carbonyl)piperidin-4-yl]methyl]acetamide
CID 108932771
6-oxo-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]-1H-pyridazine-3-carboxamide
CID 108932772

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide (CID 36945824) is 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is O=C(NCC(F)(F)F)C1CCN(C(=O)c2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
The InChIKey is AKFLUMLTUNUKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N4O3/c14-13(15,16)7-17-11(22)8-3-5-20(6-4-8)12(23)9-1-2-10(21)19-18-9/h1-2,8H,3-7H2,(H,17,22)(H,19,21).
What are the key properties of 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide?
1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide 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 1-(6-oxo-1H-pyridazine-3-carbonyl)-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide is sourced from PubChem (CID 36945824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).