1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide

C17H20N4O3 — CID 51075869

IUPAC1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nn(CC(=O)N2CCCC(C(N)=O)C2)c(=O)c2ccccc12
InChIInChI=1S/C17H20N4O3/c1-11-13-6-2-3-7-14(13)17(24)21(19-11)10-15(22)20-8-4-5-12(9-20)16(18)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,18,23)
InChIKeyKGCZKKSCHCEAFS-UHFFFAOYSA-N
MW328.37 g/mol
LogP0.43
Rot. Bonds3

About 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide

1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide (PubChem CID 51075869) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
PubChem CID51075869
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide
SMILESCc1nn(CC(=O)N2CCCC(C(N)=O)C2)c(=O)c2ccccc12
InChIInChI=1S/C17H20N4O3/c1-11-13-6-2-3-7-14(13)17(24)21(19-11)10-15(22)20-8-4-5-12(9-20)16(18)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,18,23)
InChIKeyKGCZKKSCHCEAFS-UHFFFAOYSA-N
XLogP0.43
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 110884426
2-[2-[(4S)-4-aminoazepan-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 95724840
2-[2-[(3R)-3-[benzyl(methyl)amino]piperidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 42193362
(3S)-1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94486409
2-[2-[3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 70737171
2-[2-[(3R,4S)-3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-oxoethyl]-4-methylphthalazin-1-one
CID 96512933
2-[2-(4-ethoxypiperidin-1-yl)-2-oxoethyl]-4-methylphthalazin-1-one
CID 56817728
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-2-carboxylic acid
CID 75421935
4-methyl-2-[2-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 39976417
1-(azepan-1-yl)-2-(3-methylindazol-1-yl)ethanone
CID 20886096
1-[2-[4-(2-chlorophenyl)-5-oxotetrazol-1-yl]acetyl]piperidine-3-carboxamide
CID 43058544
4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)phthalazine-1-carboxylic acid
CID 2363596

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide (CID 51075869) is 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide is Cc1nn(CC(=O)N2CCCC(C(N)=O)C2)c(=O)c2ccccc12.
What is the InChIKey of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide?
The InChIKey is KGCZKKSCHCEAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-13-6-2-3-7-14(13)17(24)21(19-11)10-15(22)20-8-4-5-12(9-20)16(18)23/h2-3,6-7,12H,4-5,8-10H2,1H3,(H2,18,23).
What are the key properties of 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide?
1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methyl-1-oxophthalazin-2-yl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 51075869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).