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

C18H23N3O2 — CID 945526

IUPAC2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCCC[C@@H]2C)CCC1=O
InChIInChI=1S/C18H23N3O2/c1-13-7-3-4-9-16(13)21-17(22)11-10-15(19-21)18(23)20-12-6-5-8-14(20)2/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyDYHFDWASJOGLHA-AWEZNQCLSA-N
MW313.40 g/mol
LogP2.88
Rot. Bonds2

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

2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 945526) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID945526
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCc1ccccc1N1N=C(C(=O)N2CCCC[C@@H]2C)CCC1=O
InChIInChI=1S/C18H23N3O2/c1-13-7-3-4-9-16(13)21-17(22)11-10-15(19-21)18(23)20-12-6-5-8-14(20)2/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m0/s1
InChIKeyDYHFDWASJOGLHA-AWEZNQCLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 945526) is 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is Cc1ccccc1N1N=C(C(=O)N2CCCC[C@@H]2C)CCC1=O.
What is the InChIKey of 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is DYHFDWASJOGLHA-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-13-7-3-4-9-16(13)21-17(22)11-10-15(19-21)18(23)20-12-6-5-8-14(20)2/h3-4,7,9,14H,5-6,8,10-12H2,1-2H3/t14-/m0/s1.
What are the key properties of 2-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-(2-methylphenyl)-6-[(2S)-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-(2-methylphenyl)-6-[(2S)-2-methylpiperidine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 945526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).