N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide

C23H26N4O3 — CID 46396947

IUPACN-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H26N4O3/c1-16-7-6-12-26(14-16)22-19-10-3-4-11-20(19)23(29)27(25-22)15-21(28)24-17-8-5-9-18(13-17)30-2/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,28)
InChIKeyTYXCIMZKNDMATE-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.28
Rot. Bonds5

About N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide

N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide (PubChem CID 46396947) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
PubChem CID46396947
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c1
InChIInChI=1S/C23H26N4O3/c1-16-7-6-12-26(14-16)22-19-10-3-4-11-20(19)23(29)27(25-22)15-21(28)24-17-8-5-9-18(13-17)30-2/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,28)
InChIKeyTYXCIMZKNDMATE-UHFFFAOYSA-N
XLogP3.28
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3R)-3-methylpiperidin-1-yl]-1-oxophthalazin-2-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 51661363
N-(3-methoxyphenyl)-2-(1-oxo-4-thiomorpholin-4-ylphthalazin-2-yl)acetamide
CID 53137095
N-(3,5-dimethoxyphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 53137015
N-(2-fluoro-4-methylphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide
CID 46396969
N-(3,5-dimethylphenyl)-2-(1-oxo-4-pyrrolidin-1-ylphthalazin-2-yl)acetamide
CID 46396846
N-(4-chlorophenyl)-2-(1-oxo-4-piperidin-1-ylphthalazin-2-yl)acetamide
CID 22425705
2-(3,4-dioxo-8-phenyl-6,7-dihydroimidazo[2,1-c][1,2,4]triazin-2-yl)-N-(3-methoxyphenyl)acetamide
CID 16898013
N-(3-methoxyphenyl)-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900394
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
2-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 62046860
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 60642548
N-(3-methoxyphenyl)-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 112847330

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The IUPAC name of N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide (CID 46396947) is N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide is COc1cccc(NC(=O)Cn2nc(N3CCCC(C)C3)c3ccccc3c2=O)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
The InChIKey is TYXCIMZKNDMATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-7-6-12-26(14-16)22-19-10-3-4-11-20(19)23(29)27(25-22)15-21(28)24-17-8-5-9-18(13-17)30-2/h3-5,8-11,13,16H,6-7,12,14-15H2,1-2H3,(H,24,28).
What are the key properties of N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide?
N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide has a molecular weight of 406.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-2-[4-(3-methylpiperidin-1-yl)-1-oxophthalazin-2-yl]acetamide is sourced from PubChem (CID 46396947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).