5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

C20H25N3O2 — CID 72920662

IUPAC5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CCCC(C)(c3ccccc3)C2)nc1C
InChIInChI=1S/C20H25N3O2/c1-15-12-18(24)23(21-16(15)2)13-19(25)22-11-7-10-20(3,14-22)17-8-5-4-6-9-17/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3
InChIKeyOLAVFGQWLQBBOW-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.44
Rot. Bonds3

About 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one

5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 72920662) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID72920662
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCc1cc(=O)n(CC(=O)N2CCCC(C)(c3ccccc3)C2)nc1C
InChIInChI=1S/C20H25N3O2/c1-15-12-18(24)23(21-16(15)2)13-19(25)22-11-7-10-20(3,14-22)17-8-5-4-6-9-17/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3
InChIKeyOLAVFGQWLQBBOW-UHFFFAOYSA-N
XLogP2.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 72920662) is 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is Cc1cc(=O)n(CC(=O)N2CCCC(C)(c3ccccc3)C2)nc1C.
What is the InChIKey of 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is OLAVFGQWLQBBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-12-18(24)23(21-16(15)2)13-19(25)22-11-7-10-20(3,14-22)17-8-5-4-6-9-17/h4-6,8-9,12H,7,10-11,13-14H2,1-3H3.
What are the key properties of 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one?
5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 339.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-[2-(3-methyl-3-phenylpiperidin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 72920662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).