2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one

C18H23N3O2 — CID 6624409

IUPAC2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCC1CCN(C(=O)CN2N=C(c3ccccc3)CCC2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-14-9-11-20(12-10-14)18(23)13-21-17(22)8-7-16(19-21)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyGARDSVDGXVKOJW-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.27
Rot. Bonds3

About 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one

2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one (PubChem CID 6624409) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
PubChem CID6624409
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one
SMILESCC1CCN(C(=O)CN2N=C(c3ccccc3)CCC2=O)CC1
InChIInChI=1S/C18H23N3O2/c1-14-9-11-20(12-10-14)18(23)13-21-17(22)8-7-16(19-21)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3
InChIKeyGARDSVDGXVKOJW-UHFFFAOYSA-N
XLogP2.27
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one (CID 6624409) is 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one is CC1CCN(C(=O)CN2N=C(c3ccccc3)CCC2=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
The InChIKey is GARDSVDGXVKOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-14-9-11-20(12-10-14)18(23)13-21-17(22)8-7-16(19-21)15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one?
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 6624409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).