2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

C20H29N4O2+ — CID 7290171

IUPAC2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O2/c1-13-15-8-6-7-9-16(15)18(26)24(22-13)12-17(25)21-14-10-19(2,3)23-20(4,5)11-14/h6-9,14,23H,10-12H2,1-5H3,(H,21,25)/p+1
InChIKeyDYXYVQSWCBTQSP-UHFFFAOYSA-O
MW357.48 g/mol
LogP1.10
Rot. Bonds3

About 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide

2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (PubChem CID 7290171) has the molecular formula C20H29N4O2+ and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
PubChem CID7290171
Molecular FormulaC20H29N4O2+
Molecular Weight357.48 g/mol
Exact Mass357.23
IUPAC Name2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide
SMILESCc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)c2ccccc12
InChIInChI=1S/C20H28N4O2/c1-13-15-8-6-7-9-16(15)18(26)24(22-13)12-17(25)21-14-10-19(2,3)23-20(4,5)11-14/h6-9,14,23H,10-12H2,1-5H3,(H,21,25)/p+1
InChIKeyDYXYVQSWCBTQSP-UHFFFAOYSA-O
XLogP1.10
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 45229156
N-(1-adamantyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 46558629
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-(2-cyclopentyl-2-hydroxyethyl)-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 111426350
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2-methylphenyl)acetamide
CID 745849
2-(4-methyl-1-oxophthalazin-2-yl)-N',N'-diphenylacetohydrazide
CID 55390619
N-hexyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 29445219
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 86965656
2-(4-methyl-1-oxophthalazin-2-yl)-N-naphthalen-1-ylacetamide
CID 46518026

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The IUPAC name of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide (CID 7290171) is 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The canonical SMILES for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is Cc1nn(CC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c(=O)c2ccccc12.
What is the InChIKey of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
The InChIKey is DYXYVQSWCBTQSP-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H28N4O2/c1-13-15-8-6-7-9-16(15)18(26)24(22-13)12-17(25)21-14-10-19(2,3)23-20(4,5)11-14/h6-9,14,23H,10-12H2,1-5H3,(H,21,25)/p+1.
What are the key properties of 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide?
2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide has a molecular weight of 357.48 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1-oxophthalazin-2-yl)-N-(2,2,6,6-tetramethylpiperidin-1-ium-4-yl)acetamide is sourced from PubChem (CID 7290171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).