2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one

C19H22FN3O2 — CID 95284309

IUPAC2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-13-4-3-5-14(2)23(13)19(25)12-22-18(24)11-10-17(21-22)15-6-8-16(20)9-7-15/h6-11,13-14H,3-5,12H2,1-2H3/t13-,14+
InChIKeyQHNKNILAVYPQHF-OKILXGFUSA-N
MW343.40 g/mol
LogP2.84
Rot. Bonds3

About 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one

2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 95284309) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID95284309
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O
InChIInChI=1S/C19H22FN3O2/c1-13-4-3-5-14(2)23(13)19(25)12-22-18(24)11-10-17(21-22)15-6-8-16(20)9-7-15/h6-11,13-14H,3-5,12H2,1-2H3/t13-,14+
InChIKeyQHNKNILAVYPQHF-OKILXGFUSA-N
XLogP2.84
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one with MolForge

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Related Compounds

6-(4-fluorophenyl)-2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 7664527
6-(4-fluorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)pyridazin-3-one
CID 7664521
2-[2-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286772
2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(5-methylthiophen-2-yl)pyridazin-3-one
CID 95286774
N-cyclopentyl-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224412
2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 6852091
6-(4-fluorophenyl)-2-[2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051551
6-(4-fluorophenyl)-2-[2-oxo-2-(3-oxopiperazin-1-yl)ethyl]pyridazin-3-one
CID 51049174
2-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 121051527
2-[2-[(4aR,8aR)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 95390024
2-[2-[(4aS,8aS)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 56723883
2-[(1-acetylpiperidin-4-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
CID 46958873

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 95284309) is 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one is C[C@@H]1CCC[C@H](C)N1C(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O.
What is the InChIKey of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is QHNKNILAVYPQHF-OKILXGFUSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-13-4-3-5-14(2)23(13)19(25)12-22-18(24)11-10-17(21-22)15-6-8-16(20)9-7-15/h6-11,13-14H,3-5,12H2,1-2H3/t13-,14+.
What are the key properties of 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 343.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 95284309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).