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

C23H26N4O3 — CID 86965656

IUPACN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccccc1N1CCCC(NC(=O)Cn2nc(C)c3ccccc3c2=O)C1
InChIInChI=1S/C23H26N4O3/c1-16-18-9-3-4-10-19(18)23(29)27(25-16)15-22(28)24-17-8-7-13-26(14-17)20-11-5-6-12-21(20)30-2/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,24,28)
InChIKeyMEUBDXBMLCLIMS-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.50
Rot. Bonds5

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

N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (PubChem CID 86965656) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
PubChem CID86965656
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
SMILESCOc1ccccc1N1CCCC(NC(=O)Cn2nc(C)c3ccccc3c2=O)C1
InChIInChI=1S/C23H26N4O3/c1-16-18-9-3-4-10-19(18)23(29)27(25-16)15-22(28)24-17-8-7-13-26(14-17)20-11-5-6-12-21(20)30-2/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,24,28)
InChIKeyMEUBDXBMLCLIMS-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
3-cyclopentyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]propanamide
CID 86965679
2-cyclohexyl-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965524
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methylphenoxy)acetamide
CID 86965648
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2-methoxyphenyl)piperidin-4-yl]acetamide
CID 49204369
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
N-[2-(azepan-1-yl)phenyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 38283424
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966316
N-[(2-methoxyphenyl)methyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179207
2-(3-chlorophenyl)-N-[1-(2-methoxyphenyl)piperidin-3-yl]acetamide
CID 86965513
N-[1-(2-methoxyphenyl)piperidin-3-yl]-3,4-dimethylbenzamide
CID 86965644
2-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 110015870

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide (CID 86965656) is N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is COc1ccccc1N1CCCC(NC(=O)Cn2nc(C)c3ccccc3c2=O)C1.
What is the InChIKey of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
The InChIKey is MEUBDXBMLCLIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-18-9-3-4-10-19(18)23(29)27(25-16)15-22(28)24-17-8-7-13-26(14-17)20-11-5-6-12-21(20)30-2/h3-6,9-12,17H,7-8,13-15H2,1-2H3,(H,24,28).
What are the key properties of N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide?
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide has a molecular weight of 406.49 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 86965656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).