2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide

C16H23F3N4O2 — CID 28811050

IUPAC2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C16H23F3N4O2/c1-11(2)15(16(17,18)19)21-13(24)10-23-14(25)8-12(9-20-23)22-6-4-3-5-7-22/h8-9,11,15H,3-7,10H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyRDHBADDBAPWZMJ-OAHLLOKOSA-N
MW360.38 g/mol
LogP1.94
Rot. Bonds5

About 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide

2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide (PubChem CID 28811050) has the molecular formula C16H23F3N4O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
PubChem CID28811050
Molecular FormulaC16H23F3N4O2
Molecular Weight360.38 g/mol
Exact Mass360.18
IUPAC Name2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide
SMILESCC(C)[C@@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)C(F)(F)F
InChIInChI=1S/C16H23F3N4O2/c1-11(2)15(16(17,18)19)21-13(24)10-23-14(25)8-12(9-20-23)22-6-4-3-5-7-22/h8-9,11,15H,3-7,10H2,1-2H3,(H,21,24)/t15-/m1/s1
InChIKeyRDHBADDBAPWZMJ-OAHLLOKOSA-N
XLogP1.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-({[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}amino)-2-oxoethyl]propanamide
CID 70755053
1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
1-(6-oxo-1-propylpyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202148
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
2-ethyl-N-[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
CID 91924017
4-Methyl-N-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]pentanamide
CID 91924027
2-Ethyl-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]butanamide
CID 91924044
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-3-methylbutanamide
CID 91924046
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-4-methylpentanamide
CID 91924052
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-{1-[1-(Cyclopropylmethyl)-6-oxo-1,6-dihydropyridazin-4-YL]piperidin-4-YL}-3-methylbutanamide
CID 91924068

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The IUPAC name of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide (CID 28811050) is 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide.
What is the SMILES notation for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The canonical SMILES for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide is CC(C)[C@@H](NC(=O)Cn1ncc(N2CCCCC2)cc1=O)C(F)(F)F.
What is the InChIKey of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
The InChIKey is RDHBADDBAPWZMJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H23F3N4O2/c1-11(2)15(16(17,18)19)21-13(24)10-23-14(25)8-12(9-20-23)22-6-4-3-5-7-22/h8-9,11,15H,3-7,10H2,1-2H3,(H,21,24)/t15-/m1/s1.
What are the key properties of 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide?
2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)-N-[(2R)-1,1,1-trifluoro-3-methylbutan-2-yl]acetamide is sourced from PubChem (CID 28811050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).