2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one

C18H23N3O2 — CID 5152065

IUPAC2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCCCC3C)CCC2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-13-6-8-15(9-7-13)21-17(22)11-10-16(19-21)18(23)20-12-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyUSUMHTHVJBTDSM-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds2

About 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one

2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one (PubChem CID 5152065) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
PubChem CID5152065
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
SMILESCc1ccc(N2N=C(C(=O)N3CCCCC3C)CCC2=O)cc1
InChIInChI=1S/C18H23N3O2/c1-13-6-8-15(9-7-13)21-17(22)11-10-16(19-21)18(23)20-12-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3
InChIKeyUSUMHTHVJBTDSM-UHFFFAOYSA-N
XLogP2.88
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 945526
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(4-methylphenyl)-4,5-dihydropyridazin-3-one
CID 944260
2-(4-chlorophenyl)-6-(2-ethylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3832897
6-(3-methylmorpholine-4-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 56808307
[5-methyl-2-(4-methylphenyl)triazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 94862004
2-methyl-6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 43059271
2-(4-methylphenyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]isoindole-1,3-dione
CID 19132996
2-(4-methylphenyl)-6-(4-pyridin-2-ylpiperazine-1-carbonyl)-4,5-dihydropyridazin-3-one
CID 3931520
6-(4-cyclohexylpiperazine-1-carbonyl)-2-phenyl-4,5-dihydropyridazin-3-one
CID 3997617
[(2R)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 7284106
2-(2,5-dimethylphenyl)-6-[(3S)-3-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 33234783
1-(4-methylphenyl)-2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-4H-imidazol-5-one
CID 8562674

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one (CID 5152065) is 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one is Cc1ccc(N2N=C(C(=O)N3CCCCC3C)CCC2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
The InChIKey is USUMHTHVJBTDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-6-8-15(9-7-13)21-17(22)11-10-16(19-21)18(23)20-12-4-3-5-14(20)2/h6-9,14H,3-5,10-12H2,1-2H3.
What are the key properties of 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one?
2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-6-(2-methylpiperidine-1-carbonyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 5152065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).