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

C18H23N3O2 — CID 5060365

IUPAC2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
SMILESCC1CCN(C(=O)CN2NC(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/h2-7,14,19H,8-13H2,1H3
InChIKeyZYLGCQWLKQHMLU-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.02
Rot. Bonds3

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

2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one (PubChem CID 5060365) 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-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
PubChem CID5060365
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
SMILESCC1CCN(C(=O)CN2NC(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/h2-7,14,19H,8-13H2,1H3
InChIKeyZYLGCQWLKQHMLU-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5002861
2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5060361
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-7-phenyl-1,5-dihydropyrrolo[3,2-d]pyrimidine-2,4-dione
CID 46335311
2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 54816851
1-(4-methylpiperidin-1-yl)-2-(2-phenylbenzimidazol-1-yl)ethanone
CID 17000581
1-(4-methylpiperidin-1-yl)-2-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 134032072
5-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-2-phenylpyrazolo[1,5-d][1,2,4]triazin-4-one
CID 20953453
3-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-5-phenyl-8H-[1,2,4]triazolo[4,3-a]pyrimidin-7-one
CID 135816938
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
N-(2-cyanoethyl)-4-methyl-N-phenylpiperidine-1-carboxamide
CID 79159548
[2-(4-methylpiperidin-1-yl)-2-oxoethyl] 2-(4-phenylphenyl)acetate
CID 23996066
2-[2-(3-methylpyrrolidin-1-yl)-2-oxoethyl]isoindole-1,3-dione
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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The IUPAC name of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one (CID 5060365) is 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one is CC1CCN(C(=O)CN2NC(c3ccccc3)=CCC2=O)CC1.
What is the InChIKey of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The InChIKey is ZYLGCQWLKQHMLU-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/h2-7,14,19H,8-13H2,1H3.
What are the key properties of 2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 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-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 5060365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).