4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one

C18H23N3O3 — CID 47736317

IUPAC4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
SMILESCCOC1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-13-7-6-10-21(12-13)17(22)11-16-14-8-4-5-9-15(14)18(23)20(2)19-16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyUXWACOZWDCGCKD-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.50
Rot. Bonds4

About 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one

4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one (PubChem CID 47736317) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one.

Molecular Properties

Compound Name4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
PubChem CID47736317
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one
SMILESCCOC1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-13-7-6-10-21(12-13)17(22)11-16-14-8-4-5-9-15(14)18(23)20(2)19-16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3
InChIKeyUXWACOZWDCGCKD-UHFFFAOYSA-N
XLogP1.50
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[2-oxo-2-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethyl]phthalazin-1-one
CID 55379468
N-cyclopropyl-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidine-3-carboxamide
CID 49352294
(3S)-1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]pyrrolidine-3-carboxylic acid
CID 125149122
4-[(3R)-3-ethoxypiperidine-1-carbonyl]-2-propylphthalazin-1-one
CID 95582769
2-methyl-4-[2-(3-methylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 119577518
(3S)-1-[2-(1-methylindazol-3-yl)acetyl]piperidine-3-carboxylic acid
CID 122107141
2-(3,4-dichlorophenyl)-1-(3-ethoxypiperidin-1-yl)ethanone
CID 47735745
1-[3-(3-ethoxypiperidin-1-yl)-3-oxopropyl]-3-methylbenzimidazol-2-one
CID 56819857
2-methyl-4-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 55975844
3-(3-ethoxypiperidine-1-carbonyl)pyrido[1,2-a]pyrimidin-4-one
CID 47736806
2-methyl-4-[2-oxo-2-(1-oxo-2-propyl-2,7-diazaspiro[4.4]nonan-7-yl)ethyl]phthalazin-1-one
CID 175642967
4-fluoro-N-[1-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]piperidin-4-yl]benzenesulfonamide
CID 38814186

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one?
The IUPAC name of 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one (CID 47736317) is 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one.
What is the SMILES notation for 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one?
The canonical SMILES for 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one is CCOC1CCCN(C(=O)Cc2nn(C)c(=O)c3ccccc23)C1.
What is the InChIKey of 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one?
The InChIKey is UXWACOZWDCGCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-13-7-6-10-21(12-13)17(22)11-16-14-8-4-5-9-15(14)18(23)20(2)19-16/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3.
What are the key properties of 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one?
4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-ethoxypiperidin-1-yl)-2-oxoethyl]-2-methylphthalazin-1-one is sourced from PubChem (CID 47736317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).