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

C19H25N3O2 — CID 5002861

IUPAC2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
SMILESCC1CC(C)CN(C(=O)CN2NC(c3ccccc3)=CCC2=O)C1
InChIInChI=1S/C19H25N3O2/c1-14-10-15(2)12-21(11-14)19(24)13-22-18(23)9-8-17(20-22)16-6-4-3-5-7-16/h3-8,14-15,20H,9-13H2,1-2H3
InChIKeyISBZNHFBFIYWPF-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.27
Rot. Bonds3

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

2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one (PubChem CID 5002861) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
PubChem CID5002861
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
SMILESCC1CC(C)CN(C(=O)CN2NC(c3ccccc3)=CCC2=O)C1
InChIInChI=1S/C19H25N3O2/c1-14-10-15(2)12-21(11-14)19(24)13-22-18(23)9-8-17(20-22)16-6-4-3-5-7-16/h3-8,14-15,20H,9-13H2,1-2H3
InChIKeyISBZNHFBFIYWPF-UHFFFAOYSA-N
XLogP2.27
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5060365
2-[2-(4-methylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one
CID 5060361
6-(4-methoxyphenyl)-2-(2-oxo-2-piperidin-1-ylethyl)-1,4-dihydropyridazin-3-one
CID 4074598
6-(4-methoxyphenyl)-2-[2-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]-2-oxoethyl]-1,4-dihydropyridazin-3-one
CID 4118469
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
3-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-1-phenylimidazolidine-2,4-dione
CID 60519605
1-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-4,4-dimethyl-3H-quinolin-2-one
CID 97458315
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-3,3-diphenylpropan-1-one
CID 7322462
(5S)-3-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 51434252
2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-methoxy-6-phenylpyridazin-3-one
CID 97458800
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
3-[4-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylphenyl)propanamide
CID 24589351

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The IUPAC name of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one (CID 5002861) is 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one.
What is the SMILES notation for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The canonical SMILES for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one is CC1CC(C)CN(C(=O)CN2NC(c3ccccc3)=CCC2=O)C1.
What is the InChIKey of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
The InChIKey is ISBZNHFBFIYWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-10-15(2)12-21(11-14)19(24)13-22-18(23)9-8-17(20-22)16-6-4-3-5-7-16/h3-8,14-15,20H,9-13H2,1-2H3.
What are the key properties of 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one?
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-6-phenyl-1,4-dihydropyridazin-3-one is sourced from PubChem (CID 5002861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).