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

C17H22N4O2 — CID 60526743

IUPACN-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cn2nc(C)c3ccccc3c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-12-15-7-3-4-8-16(15)17(23)21(19-12)11-20-9-5-6-14(10-20)18-13(2)22/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyQJIRMYZUVAIHSG-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.26
Rot. Bonds3

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

N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide (PubChem CID 60526743) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide
PubChem CID60526743
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide
SMILESCC(=O)NC1CCCN(Cn2nc(C)c3ccccc3c2=O)C1
InChIInChI=1S/C17H22N4O2/c1-12-15-7-3-4-8-16(15)17(23)21(19-12)11-20-9-5-6-14(10-20)18-13(2)22/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,18,22)
InChIKeyQJIRMYZUVAIHSG-UHFFFAOYSA-N
XLogP1.26
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 51179223
N-[(3S)-1-benzylpiperidin-3-yl]acetamide
CID 58526543
N-[1-(2-methoxyphenyl)piperidin-3-yl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 86965656
2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
2-(4-methyl-1-oxophthalazin-2-yl)-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]acetamide
CID 95138432
2-(3-acetamidopiperidin-1-yl)-N-phenylacetamide
CID 60503649
N-[1-(3-phenylpropyl)piperidin-3-yl]acetamide
CID 171328429
4-methyl-2-(2-oxopropyl)phthalazin-1-one
CID 58973560
N-[1-[(2-naphthalen-1-ylpyrimidin-5-yl)methyl]piperidin-3-yl]acetamide
CID 77091960
N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]acetamide
CID 172882645
N-[(1R,2R)-2-methylcyclohexyl]-2-(4-methyl-1-oxophthalazin-2-yl)acetamide
CID 857351
2-[(3S)-3-acetamidopiperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 94190647

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide?
The IUPAC name of N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide (CID 60526743) is N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide?
The canonical SMILES for N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide is CC(=O)NC1CCCN(Cn2nc(C)c3ccccc3c2=O)C1.
What is the InChIKey of N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide?
The InChIKey is QJIRMYZUVAIHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-15-7-3-4-8-16(15)17(23)21(19-12)11-20-9-5-6-14(10-20)18-13(2)22/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,18,22).
What are the key properties of N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide?
N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide has a molecular weight of 314.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-methyl-1-oxophthalazin-2-yl)methyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 60526743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).