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

C18H23N3O3 — CID 56817728

IUPAC2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCCOC1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-14-8-10-20(11-9-14)17(22)12-21-18(23)16-7-5-4-6-15(16)13(2)19-21/h4-7,14H,3,8-12H2,1-2H3
InChIKeyMRXBNFFGEIJVGW-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.73
Rot. Bonds4

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

2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one (PubChem CID 56817728) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one.

Molecular Properties

Compound Name2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
PubChem CID56817728
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
SMILESCCOC1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1
InChIInChI=1S/C18H23N3O3/c1-3-24-14-8-10-20(11-9-14)17(22)12-21-18(23)16-7-5-4-6-15(16)13(2)19-21/h4-7,14H,3,8-12H2,1-2H3
InChIKeyMRXBNFFGEIJVGW-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-[2-oxo-2-(4-pyridin-4-yloxypiperidin-1-yl)ethyl]phthalazin-1-one
CID 70743963
3-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 56798223
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840
2-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 56704664
2-[2-[4-[[butyl(methyl)amino]methyl]piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 86824471
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
CID 51075869
2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-5-methyl-4-(2-phenylethyl)-1,2,4-triazol-3-one
CID 70759488
2-[2-[4-(1,3-benzothiazole-2-carbonyl)piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 16670594
4-methyl-2-(2-oxobutyl)phthalazin-1-one
CID 70794390
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one?
The IUPAC name of 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one (CID 56817728) is 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one.
What is the SMILES notation for 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one?
The canonical SMILES for 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one is CCOC1CCN(C(=O)Cn2nc(C)c3ccccc3c2=O)CC1.
What is the InChIKey of 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one?
The InChIKey is MRXBNFFGEIJVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-14-8-10-20(11-9-14)17(22)12-21-18(23)16-7-5-4-6-15(16)13(2)19-21/h4-7,14H,3,8-12H2,1-2H3.
What are the key properties of 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one?
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one has a molecular weight of 329.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one is sourced from PubChem (CID 56817728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).